6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

C34H30N4O4 — CID 121293858

IUPAC6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOc1ccc(COc2cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
InChIInChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)
InChIKeyXPIIMAWNKHQNRO-UHFFFAOYSA-N
MW558.64 g/mol
LogP6.15
Rot. Bonds7

About 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide

6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293858) has the molecular formula C34H30N4O4 and a molecular weight of 558.64 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID121293858
Molecular FormulaC34H30N4O4
Molecular Weight558.64 g/mol
Exact Mass558.23
IUPAC Name6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
SMILESCOc1ccc(COc2cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
InChIInChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)
InChIKeyXPIIMAWNKHQNRO-UHFFFAOYSA-N
XLogP6.15
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.64
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide (CID 121293858) is 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is COc1ccc(COc2cc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is XPIIMAWNKHQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39).
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide?
6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).