10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol

C33H29FN2O3 — CID 68932598

IUPAC10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol
SMILESCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)C(O)C2
InChIInChI=1S/C33H29FN2O3/c1-38-32-26-13-8-18-35-30(26)33(39-31(23-9-4-2-5-10-23)24-11-6-3-7-12-24)28-21-36(29(37)19-27(28)32)20-22-14-16-25(34)17-15-22/h2-18,29,31,37H,19-21H2,1H3
InChIKeyZZYDXROARVHMTO-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.43
Rot. Bonds7

About 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol

10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol (PubChem CID 68932598) has the molecular formula C33H29FN2O3 and a molecular weight of 520.60 g/mol. Its IUPAC name is 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol.

Molecular Properties

Compound Name10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol
PubChem CID68932598
Molecular FormulaC33H29FN2O3
Molecular Weight520.60 g/mol
Exact Mass520.22
IUPAC Name10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol
SMILESCOc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)C(O)C2
InChIInChI=1S/C33H29FN2O3/c1-38-32-26-13-8-18-35-30(26)33(39-31(23-9-4-2-5-10-23)24-11-6-3-7-12-24)28-21-36(29(37)19-27(28)32)20-22-14-16-25(34)17-15-22/h2-18,29,31,37H,19-21H2,1H3
InChIKeyZZYDXROARVHMTO-UHFFFAOYSA-N
XLogP6.43
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol?
The IUPAC name of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol (CID 68932598) is 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol.
What is the SMILES notation for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol?
The canonical SMILES for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol is COc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)CN(Cc1ccc(F)cc1)C(O)C2.
What is the InChIKey of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol?
The InChIKey is ZZYDXROARVHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2O3/c1-38-32-26-13-8-18-35-30(26)33(39-31(23-9-4-2-5-10-23)24-11-6-3-7-12-24)28-21-36(29(37)19-27(28)32)20-22-14-16-25(34)17-15-22/h2-18,29,31,37H,19-21H2,1H3.
What are the key properties of 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol?
10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol has a molecular weight of 520.60 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydryloxy-8-[(4-fluorophenyl)methyl]-5-methoxy-7,9-dihydro-6H-pyrido[4,3-g]quinolin-7-ol is sourced from PubChem (CID 68932598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).