4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide

C28H20N6O2 — CID 86763132

IUPAC4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cncnc4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C28H20N6O2/c1-16-18(6-4-8-25(16)34-15-32-23-7-3-2-5-20(23)28(34)36)19-9-10-21(27(29)35)26-22(19)11-24(33-26)17-12-30-14-31-13-17/h2-15,33H,1H3,(H2,29,35)
InChIKeyHLLWUYRSVBFCPR-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.40
Rot. Bonds4

About 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide

4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide (PubChem CID 86763132) has the molecular formula C28H20N6O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
PubChem CID86763132
Molecular FormulaC28H20N6O2
Molecular Weight472.51 g/mol
Exact Mass472.16
IUPAC Name4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cncnc4)cc23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C28H20N6O2/c1-16-18(6-4-8-25(16)34-15-32-23-7-3-2-5-20(23)28(34)36)19-9-10-21(27(29)35)26-22(19)11-24(33-26)17-12-30-14-31-13-17/h2-15,33H,1H3,(H2,29,35)
InChIKeyHLLWUYRSVBFCPR-UHFFFAOYSA-N
XLogP4.40
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.40
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-pyrimidin-5-yl-1H-indole-7-carboxamide?
The IUPAC name of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide (CID 86763132) is 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c(-c4cncnc4)cc23)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide?
The InChIKey is HLLWUYRSVBFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O2/c1-16-18(6-4-8-25(16)34-15-32-23-7-3-2-5-20(23)28(34)36)19-9-10-21(27(29)35)26-22(19)11-24(33-26)17-12-30-14-31-13-17/h2-15,33H,1H3,(H2,29,35).
What are the key properties of 4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide?
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.40, 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-pyrimidin-5-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 86763132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).