9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one

C32H25FN2O3 — CID 58712622

IUPAC9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O
InChIInChI=1S/C32H25FN2O3/c1-20-25-13-8-18-34-28(25)30(38-29(22-9-4-2-5-10-22)23-11-6-3-7-12-23)27-26(20)31(36)35(32(27)37)19-21-14-16-24(33)17-15-21/h2-18,29,31,36H,19H2,1H3
InChIKeyOCSKPDCBPJTPFT-UHFFFAOYSA-N
MW504.56 g/mol
LogP6.50
Rot. Bonds6

About 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one

9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 58712622) has the molecular formula C32H25FN2O3 and a molecular weight of 504.56 g/mol. Its IUPAC name is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID58712622
Molecular FormulaC32H25FN2O3
Molecular Weight504.56 g/mol
Exact Mass504.18
IUPAC Name9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O
InChIInChI=1S/C32H25FN2O3/c1-20-25-13-8-18-34-28(25)30(38-29(22-9-4-2-5-10-22)23-11-6-3-7-12-23)27-26(20)31(36)35(32(27)37)19-21-14-16-24(33)17-15-21/h2-18,29,31,36H,19H2,1H3
InChIKeyOCSKPDCBPJTPFT-UHFFFAOYSA-N
XLogP6.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

MF-498
CID 15948325
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10404848
3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
CID 24872910
3,7-bis[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 24872913
3-[(4-Fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 25218540
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11957776
2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
CID 15947448
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-ethoxyphenyl)acetamide
CID 15947546
1-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
CID 15947639
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 15947640
N-[[[4-(5,9-Diethoxy-6,8-dihydro-6-oxo-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methyl]sulfonyl]benzeneacetamide
CID 15948329
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-fluorophenyl)acetamide
CID 15948439

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (CID 58712622) is 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is Cc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2O.
What is the InChIKey of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is OCSKPDCBPJTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN2O3/c1-20-25-13-8-18-34-28(25)30(38-29(22-9-4-2-5-10-22)23-11-6-3-7-12-23)27-26(20)31(36)35(32(27)37)19-21-14-16-24(33)17-15-21/h2-18,29,31,36H,19H2,1H3.
What are the key properties of 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 504.56 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58712622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).