5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

C27H21FN4O3 — CID 58653034

IUPAC5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCc4ncccc4C3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H21FN4O3/c28-18-7-5-16(6-8-18)13-32-15-20-22(19-4-2-11-30-24(19)25(33)23(20)27(32)35)26(34)31-12-9-21-17(14-31)3-1-10-29-21/h1-8,10-11,33H,9,12-15H2
InChIKeyQIKFWVJATUNIPM-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.83
Rot. Bonds3

About 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 58653034) has the molecular formula C27H21FN4O3 and a molecular weight of 468.49 g/mol. Its IUPAC name is 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID58653034
Molecular FormulaC27H21FN4O3
Molecular Weight468.49 g/mol
Exact Mass468.16
IUPAC Name5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCc4ncccc4C3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H21FN4O3/c28-18-7-5-16(6-8-18)13-32-15-20-22(19-4-2-11-30-24(19)25(33)23(20)27(32)35)26(34)31-12-9-21-17(14-31)3-1-10-29-21/h1-8,10-11,33H,9,12-15H2
InChIKeyQIKFWVJATUNIPM-UHFFFAOYSA-N
XLogP3.83
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 58653034) is 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(C(=O)N3CCc4ncccc4C3)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is QIKFWVJATUNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O3/c28-18-7-5-16(6-8-18)13-32-15-20-22(19-4-2-11-30-24(19)25(33)23(20)27(32)35)26(34)31-12-9-21-17(14-31)3-1-10-29-21/h1-8,10-11,33H,9,12-15H2.
What are the key properties of 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 468.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58653034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).