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

C34H29FN4O4 — CID 121293994

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

4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121293994) has the molecular formula C34H29FN4O4 and a molecular weight of 576.63 g/mol. Its IUPAC name is 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
• PubChem CID: 121293994
• Molecular Formula: C34H29FN4O4
• Molecular Weight: 576.63 g/mol
• Exact Mass: 576.22
• IUPAC Name: 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
• SMILES: COc1ccc(COc2cc(-c3cccc(-n4cnc5cc(F)ccc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
• InChI: InChI=1S/C34H29FN4O4/c1-18-20(3)38-32-30(18)26(15-29(31(32)33(36)40)43-16-21-8-11-23(42-4)12-9-21)24-6-5-7-28(19(24)2)39-17-37-27-14-22(35)10-13-25(27)34(39)41/h5-15,17,38H,16H2,1-4H3,(H2,36,40)
• InChIKey: GQCYKDMXQKXXTI-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 112.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.63
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?

The IUPAC name of 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121293994) is 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide.

What is the SMILES notation for 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?

The canonical SMILES for 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide is COc1ccc(COc2cc(-c3cccc(-n4cnc5cc(F)ccc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1.

What is the InChIKey of 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?

The InChIKey is GQCYKDMXQKXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN4O4/c1-18-20(3)38-32-30(18)26(15-29(31(32)33(36)40)43-16-21-8-11-23(42-4)12-9-21)24-6-5-7-28(19(24)2)39-17-37-27-14-22(35)10-13-25(27)34(39)41/h5-15,17,38H,16H2,1-4H3,(H2,36,40).

What are the key properties of 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?

4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 576.63 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121293994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).