methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate

C30H20N4O3 — CID 158008597

IUPACmethyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1c(C#N)cnc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2
InChIInChI=1S/C30H20N4O3/c1-17-21(7-5-9-26(17)34-16-33-25-8-4-3-6-23(25)29(34)35)28-27-22-11-10-18(30(36)37-2)12-19(22)13-24(27)20(14-31)15-32-28/h3-12,15-16H,13H2,1-2H3
InChIKeyFEPLNINPQUKEPT-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.99
Rot. Bonds3

About methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate

methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate (PubChem CID 158008597) has the molecular formula C30H20N4O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate
PubChem CID158008597
Molecular FormulaC30H20N4O3
Molecular Weight484.52 g/mol
Exact Mass484.15
IUPAC Namemethyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1c(C#N)cnc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2
InChIInChI=1S/C30H20N4O3/c1-17-21(7-5-9-26(17)34-16-33-25-8-4-3-6-23(25)29(34)35)28-27-22-11-10-18(30(36)37-2)12-19(22)13-24(27)20(14-31)15-32-28/h3-12,15-16H,13H2,1-2H3
InChIKeyFEPLNINPQUKEPT-UHFFFAOYSA-N
XLogP4.99
TPSA97.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-methoxyethoxy)-3-methyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 147214560
3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
CID 159956886
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
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-benzimidazole-4-carboxamide
CID 163411671
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
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
methyl 2-(2-methyl-3-phenylphenyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 135146922
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
CID 171457679

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate?
The IUPAC name of methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate (CID 158008597) is methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate is COC(=O)c1ccc2c(c1)Cc1c(C#N)cnc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2.
What is the InChIKey of methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate?
The InChIKey is FEPLNINPQUKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O3/c1-17-21(7-5-9-26(17)34-16-33-25-8-4-3-6-23(25)29(34)35)28-27-22-11-10-18(30(36)37-2)12-19(22)13-24(27)20(14-31)15-32-28/h3-12,15-16H,13H2,1-2H3.
What are the key properties of methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate?
methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate has a molecular weight of 484.52 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-1-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-5H-indeno[1,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 158008597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).