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(S)-7-Methoxy-2-methyl-6-((tetrahydrofuran-3-yl)oxy)quinazolin-4(3H)-one

(S)-7-Methoxy-2-methyl-6-((tetrahydrofuran-3-yl)oxy)quinazolin-4(3H)-one - CAS 2230840-12-5

Catalog:	BB054157
Product Name:	(S)-7-Methoxy-2-methyl-6-((tetrahydrofuran-3-yl)oxy)quinazolin-4(3H)-one
CAS:	2230840-12-5
Synonyms:	4(3H)-Quinazolinone, 7-methoxy-2-methyl-6-[[(3S)-tetrahydro-3-furanyl]oxy]-

Technical Data

Computed Properties

IUPAC Name:	7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
Molecular Weight:	276.29
Molecular Formula:	C14H16N2O4
Canonical SMILES:	CC1=NC(=O)C2=CC(C(=CC2=N1)OC)OC3CCOC3
InChI:	InChI=1S/C14H16N2O4/c1-8-15-11-6-12(18-2)13(5-10(11)14(17)16-8)20-9-3-4-19-7-9/h5-6,9,13H,3-4,7H2,1-2H3/t9-,13?/m0/s1
InChI Key:	ZQJSEOXBTJAISO-LLTODGECSA-N
Boiling Point:	460.7±55.0°C (Predicted)
Purity:	≥95%
Density:	1.40±0.1 g/cm3 (Predicted)

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Related Functional Groups

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Complexity:	560
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	276.111007
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.111007
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1