4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

C28H22N6O2 — CID 86762883

IUPAC4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C)c4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C28H22N6O2/c1-16-18(7-5-9-25(16)34-15-30-23-8-4-3-6-20(23)28(34)36)19-10-11-21(27(29)35)26-22(19)12-24(32-26)17-13-31-33(2)14-17/h3-15,32H,1-2H3,(H2,29,35)
InChIKeyKZAIMEBWVUQDIP-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.34
Rot. Bonds4

About 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (PubChem CID 86762883) has the molecular formula C28H22N6O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
PubChem CID86762883
Molecular FormulaC28H22N6O2
Molecular Weight474.52 g/mol
Exact Mass474.18
IUPAC Name4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C)c4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C28H22N6O2/c1-16-18(7-5-9-25(16)34-15-30-23-8-4-3-6-20(23)28(34)36)19-10-11-21(27(29)35)26-22(19)12-24(32-26)17-13-31-33(2)14-17/h3-15,32H,1-2H3,(H2,29,35)
InChIKeyKZAIMEBWVUQDIP-UHFFFAOYSA-N
XLogP4.34
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (CID 86762883) is 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cnn(C)c4)cc23)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The InChIKey is KZAIMEBWVUQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2/c1-16-18(7-5-9-25(16)34-15-30-23-8-4-3-6-20(23)28(34)36)19-10-11-21(27(29)35)26-22(19)12-24(32-26)17-13-31-33(2)14-17/h3-15,32H,1-2H3,(H2,29,35).
What are the key properties of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 86762883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).