2-Methoxy-6(5H)-phenanthridinone - CAS 38088-96-9

Catalog:	BB076863
Product Name:	2-Methoxy-6(5H)-phenanthridinone
CAS:	38088-96-9
Synonyms:	2-Methoxy-6(5H)-phenanthridinone; 2-methoxy-5H-phenanthridin-6-one; 2-Methoxyphenanthridin-6(5H)-one; 6(5H)-Phenanthridinone, 2-methoxy-

Technical Data

IUPAC Name:	2-methoxy-5H-phenanthridin-6-one
Description:	2-Methoxy-6(5H)-phenanthridinone is a derivative of phenathridine, a nitrogen based polycyclic aromatic hydrocarbon (PAH). It is used in the preparation of potential HIV-1 integrase inhibitors.
Molecular Weight:	225.24
Molecular Formula:	C14H11NO2
Canonical SMILES:	COC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32
InChI:	InChI=1S/C14H11NO2/c1-17-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)15-13/h2-8H,1H3,(H,15,16)
InChI Key:	SFDHWBOPWONGJZ-UHFFFAOYSA-N
References:	Patil, S. et al. Bioorg. Med. Chem., 15, 1212 (2007).

Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.078978594
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4