3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide

C30H24N6O3 — CID 70652011

IUPAC3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cnc(C(=O)N(C)C)cc4c23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C30H24N6O3/c1-16-17(8-6-10-25(16)36-15-33-22-9-5-4-7-19(22)29(36)38)18-11-12-20(28(31)37)27-26(18)21-13-23(30(39)35(2)3)32-14-24(21)34-27/h4-15,34H,1-3H3,(H2,31,37)
InChIKeyUVMXWAAYTJOQEB-UHFFFAOYSA-N
MW516.56 g/mol
LogP4.19
Rot. Bonds4

About 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide

3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide (PubChem CID 70652011) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
PubChem CID70652011
Molecular FormulaC30H24N6O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC Name3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cnc(C(=O)N(C)C)cc4c23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C30H24N6O3/c1-16-17(8-6-10-25(16)36-15-33-22-9-5-4-7-19(22)29(36)38)18-11-12-20(28(31)37)27-26(18)21-13-23(30(39)35(2)3)32-14-24(21)34-27/h4-15,34H,1-3H3,(H2,31,37)
InChIKeyUVMXWAAYTJOQEB-UHFFFAOYSA-N
XLogP4.19
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366090
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366015
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-benzimidazole-4-carboxamide
CID 163411671
2-[(E)-1-[2-hydroxyethyl-(methylideneamino)amino]prop-1-en-2-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
CID 139501178
3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
CID 159956886
4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
CID 141366359
7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 91392090
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-1H-indole-7-carboxamide
CID 121293860
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
CID 171457679
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-3H-benzimidazole-4-carbonitrile;7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-benzimidazole-4-carboxamide
CID 157100775
3-(hydroxymethyl)-5-[3-(4-hydroxy-4H-quinazolin-3-yl)-2-methylphenyl]-9H-pyrido[3,4-b]indole-8-carboxamide
CID 123373995

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide (CID 70652011) is 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cnc(C(=O)N(C)C)cc4c23)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide?
The InChIKey is UVMXWAAYTJOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3/c1-16-17(8-6-10-25(16)36-15-33-22-9-5-4-7-19(22)29(36)38)18-11-12-20(28(31)37)27-26(18)21-13-23(30(39)35(2)3)32-14-24(21)34-27/h4-15,34H,1-3H3,(H2,31,37).
What are the key properties of 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide?
3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide has a molecular weight of 516.56 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide is sourced from PubChem (CID 70652011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).