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

C34H29FN4O4 — CID 121293780

IUPAC4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCOc1ccc(COc2cc(-c3cccc(-n4cnc5ccc(F)cc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
InChIInChI=1S/C34H29FN4O4/c1-18-20(3)38-32-30(18)25(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)39-17-37-27-13-10-22(35)14-26(27)34(39)41/h5-15,17,38H,16H2,1-4H3,(H2,36,40)
InChIKeySQOUUDGDUUYGMY-UHFFFAOYSA-N
MW576.63 g/mol
LogP6.28
Rot. Bonds7

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

4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121293780) has the molecular formula C34H29FN4O4 and a molecular weight of 576.63 g/mol. Its IUPAC name is 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121293780
Molecular FormulaC34H29FN4O4
Molecular Weight576.63 g/mol
Exact Mass576.22
IUPAC Name4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCOc1ccc(COc2cc(-c3cccc(-n4cnc5ccc(F)cc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
InChIInChI=1S/C34H29FN4O4/c1-18-20(3)38-32-30(18)25(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)39-17-37-27-13-10-22(35)14-26(27)34(39)41/h5-15,17,38H,16H2,1-4H3,(H2,36,40)
InChIKeySQOUUDGDUUYGMY-UHFFFAOYSA-N
XLogP6.28
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121293780) is 4-[3-(6-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-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide is COc1ccc(COc2cc(-c3cccc(-n4cnc5ccc(F)cc5c4=O)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1.
What is the InChIKey of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is SQOUUDGDUUYGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN4O4/c1-18-20(3)38-32-30(18)25(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)39-17-37-27-13-10-22(35)14-26(27)34(39)41/h5-15,17,38H,16H2,1-4H3,(H2,36,40).
What are the key properties of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide?
4-[3-(6-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-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[(4-methoxyphenyl)methoxy]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121293780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).