5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide

C27H23FN4O3 — CID 90352348

IUPAC5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1
InChIInChI=1S/C27H23FN4O3/c1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18/h5-14H,1-4H3,(H,31,33)
InChIKeyRIVSXDIZGFPSFW-UHFFFAOYSA-N
MW470.50 g/mol
LogP6.53
Rot. Bonds4

About 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide

5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide (PubChem CID 90352348) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
PubChem CID90352348
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1
InChIInChI=1S/C27H23FN4O3/c1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18/h5-14H,1-4H3,(H,31,33)
InChIKeyRIVSXDIZGFPSFW-UHFFFAOYSA-N
XLogP6.53
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide (CID 90352348) is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide.
What is the SMILES notation for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The canonical SMILES for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide is COc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1.
What is the InChIKey of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The InChIKey is RIVSXDIZGFPSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18/h5-14H,1-4H3,(H,31,33).
What are the key properties of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide is sourced from PubChem (CID 90352348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).