12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one

C24H17ClN2O — CID 139215720

IUPAC12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one
SMILESCc1ccc2nc3[nH]c4ccc(C)cc4c(=O)c3c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C24H17ClN2O/c1-13-7-9-19-16(11-13)21(15-5-3-4-6-18(15)25)22-23(28)17-12-14(2)8-10-20(17)27-24(22)26-19/h3-12H,1-2H3,(H,26,27,28)
InChIKeyMDNZUNBCUJWZAS-UHFFFAOYSA-N
MW384.87 g/mol
LogP6.17
Rot. Bonds1

About 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one

12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one (PubChem CID 139215720) has the molecular formula C24H17ClN2O and a molecular weight of 384.87 g/mol. Its IUPAC name is 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one.

Molecular Properties

Compound Name12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one
PubChem CID139215720
Molecular FormulaC24H17ClN2O
Molecular Weight384.87 g/mol
Exact Mass384.10
IUPAC Name12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one
SMILESCc1ccc2nc3[nH]c4ccc(C)cc4c(=O)c3c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C24H17ClN2O/c1-13-7-9-19-16(11-13)21(15-5-3-4-6-18(15)25)22-23(28)17-12-14(2)8-10-20(17)27-24(22)26-19/h3-12H,1-2H3,(H,26,27,28)
InChIKeyMDNZUNBCUJWZAS-UHFFFAOYSA-N
XLogP6.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one?
The IUPAC name of 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one (CID 139215720) is 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one.
What is the SMILES notation for 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one?
The canonical SMILES for 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one is Cc1ccc2nc3[nH]c4ccc(C)cc4c(=O)c3c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one?
The InChIKey is MDNZUNBCUJWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O/c1-13-7-9-19-16(11-13)21(15-5-3-4-6-18(15)25)22-23(28)17-12-14(2)8-10-20(17)27-24(22)26-19/h3-12H,1-2H3,(H,26,27,28).
What are the key properties of 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one?
12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one has a molecular weight of 384.87 g/mol, XLogP of 6.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one is sourced from PubChem (CID 139215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).