8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione

C37H27N5O3 — CID 101180035

IUPAC8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione
SMILESCc1ccc(Nc2nc(-c3ccccn3)c3c(c2Nc2ccc(C)cc2)C(=O)c2[nH]c(=O)c(-c4ccccc4)cc2C3=O)cc1
InChIInChI=1S/C37H27N5O3/c1-21-11-15-24(16-12-21)39-33-30-29(32(28-10-6-7-19-38-28)41-36(33)40-25-17-13-22(2)14-18-25)34(43)27-20-26(23-8-4-3-5-9-23)37(45)42-31(27)35(30)44/h3-20,39H,1-2H3,(H,40,41)(H,42,45)
InChIKeyQGGJXNMJRAAEAJ-UHFFFAOYSA-N
MW589.66 g/mol
LogP7.38
Rot. Bonds6

About 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione

8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione (PubChem CID 101180035) has the molecular formula C37H27N5O3 and a molecular weight of 589.66 g/mol. Its IUPAC name is 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione
PubChem CID101180035
Molecular FormulaC37H27N5O3
Molecular Weight589.66 g/mol
Exact Mass589.21
IUPAC Name8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione
SMILESCc1ccc(Nc2nc(-c3ccccn3)c3c(c2Nc2ccc(C)cc2)C(=O)c2[nH]c(=O)c(-c4ccccc4)cc2C3=O)cc1
InChIInChI=1S/C37H27N5O3/c1-21-11-15-24(16-12-21)39-33-30-29(32(28-10-6-7-19-38-28)41-36(33)40-25-17-13-22(2)14-18-25)34(43)27-20-26(23-8-4-3-5-9-23)37(45)42-31(27)35(30)44/h3-20,39H,1-2H3,(H,40,41)(H,42,45)
InChIKeyQGGJXNMJRAAEAJ-UHFFFAOYSA-N
XLogP7.38
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 57.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione with MolForge

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Launch Full Analysis

Related Compounds

3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
N-(6-methyl-2-pyridinyl)-6-quinoxalinecarboxamide
CID 829895
NX-5948
CID 156464216
13-[2-(4-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470753
13-[2-(3-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470754
13-[2-(2-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470755
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548174
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
3-amino-N-[4-(2-amino-4-pyridinyl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161034

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione?
The IUPAC name of 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione (CID 101180035) is 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione.
What is the SMILES notation for 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione?
The canonical SMILES for 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione is Cc1ccc(Nc2nc(-c3ccccn3)c3c(c2Nc2ccc(C)cc2)C(=O)c2[nH]c(=O)c(-c4ccccc4)cc2C3=O)cc1.
What is the InChIKey of 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione?
The InChIKey is QGGJXNMJRAAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N5O3/c1-21-11-15-24(16-12-21)39-33-30-29(32(28-10-6-7-19-38-28)41-36(33)40-25-17-13-22(2)14-18-25)34(43)27-20-26(23-8-4-3-5-9-23)37(45)42-31(27)35(30)44/h3-20,39H,1-2H3,(H,40,41)(H,42,45).
What are the key properties of 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione?
8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione has a molecular weight of 589.66 g/mol, XLogP of 7.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(4-methylanilino)-3-phenyl-6-pyridin-2-yl-1H-pyrido[3,4-g]quinoline-2,5,10-trione is sourced from PubChem (CID 101180035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).