2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one

C27H18N2O2 — CID 134368624

IUPAC2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one
SMILESCc1ccc2ccc3ccc(-c4cc[nH]c5c4ccc4cccc(=O)c45)c(=O)c3c2[nH]1
InChIInChI=1S/C27H18N2O2/c1-15-5-6-18-8-7-17-10-12-21(27(31)24(17)25(18)29-15)19-13-14-28-26-20(19)11-9-16-3-2-4-22(30)23(16)26/h2-14,28-29H,1H3
InChIKeyHRKZAZFGBPRPBK-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.65
Rot. Bonds1

About 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one

2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one (PubChem CID 134368624) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one.

Molecular Properties

Compound Name2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one
PubChem CID134368624
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC Name2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one
SMILESCc1ccc2ccc3ccc(-c4cc[nH]c5c4ccc4cccc(=O)c45)c(=O)c3c2[nH]1
InChIInChI=1S/C27H18N2O2/c1-15-5-6-18-8-7-17-10-12-21(27(31)24(17)25(18)29-15)19-13-14-28-26-20(19)11-9-16-3-2-4-22(30)23(16)26/h2-14,28-29H,1H3
InChIKeyHRKZAZFGBPRPBK-UHFFFAOYSA-N
XLogP5.65
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-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 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one?
The IUPAC name of 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one (CID 134368624) is 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one.
What is the SMILES notation for 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one?
The canonical SMILES for 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one is Cc1ccc2ccc3ccc(-c4cc[nH]c5c4ccc4cccc(=O)c45)c(=O)c3c2[nH]1.
What is the InChIKey of 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one?
The InChIKey is HRKZAZFGBPRPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c1-15-5-6-18-8-7-17-10-12-21(27(31)24(17)25(18)29-15)19-13-14-28-26-20(19)11-9-16-3-2-4-22(30)23(16)26/h2-14,28-29H,1H3.
What are the key properties of 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one?
2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one has a molecular weight of 402.45 g/mol, XLogP of 5.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(10-oxo-1H-benzo[h]quinolin-4-yl)-1H-benzo[h]quinolin-10-one is sourced from PubChem (CID 134368624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).