7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide

C35H30FN3O4 — CID 146914587

About 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide

7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide (PubChem CID 146914587) has the molecular formula C35H30FN3O4 and a molecular weight of 575.64 g/mol. Its IUPAC name is 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide.

Molecular Properties

• Compound Name: 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide
• PubChem CID: 146914587
• Molecular Formula: C35H30FN3O4
• Molecular Weight: 575.64 g/mol
• Exact Mass: 575.22
• IUPAC Name: 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide
• SMILES: COc1ccc(COc2cc(-c3cccc(-n4cnc5ccc(F)cc5c4=O)c3C)c3c(c2C(N)=O)CC(C)=C3C)cc1
• InChI: InChI=1S/C35H30FN3O4/c1-19-14-28-32(20(19)2)26(16-31(33(28)34(37)40)43-17-22-8-11-24(42-4)12-9-22)25-6-5-7-30(21(25)3)39-18-38-29-13-10-23(36)15-27(29)35(39)41/h5-13,15-16,18H,14,17H2,1-4H3,(H2,37,40)
• InChIKey: ABZHSUGDUNFUIJ-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 96.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.64
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide?

The IUPAC name of 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide (CID 146914587) is 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide.

What is the SMILES notation for 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide?

The canonical SMILES for 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide is COc1ccc(COc2cc(-c3cccc(-n4cnc5ccc(F)cc5c4=O)c3C)c3c(c2C(N)=O)CC(C)=C3C)cc1.

What is the InChIKey of 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide?

The InChIKey is ABZHSUGDUNFUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FN3O4/c1-19-14-28-32(20(19)2)26(16-31(33(28)34(37)40)43-17-22-8-11-24(42-4)12-9-22)25-6-5-7-30(21(25)3)39-18-38-29-13-10-23(36)15-27(29)35(39)41/h5-13,15-16,18H,14,17H2,1-4H3,(H2,37,40).

What are the key properties of 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide?

7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide has a molecular weight of 575.64 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-5-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3H-indene-4-carboxamide is sourced from PubChem (CID 146914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).