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

C27H23FN4O5 — CID 90343103

IUPAC5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(OC)c(OC)cc45)ccc32)cc1
InChIInChI=1S/C27H23FN4O5/c1-15-11-19-21(32(15)27(33)31-16-5-7-17(34-2)8-6-16)9-10-22(25(19)28)37-26-18-12-23(35-3)24(36-4)13-20(18)29-14-30-26/h5-14H,1-4H3,(H,31,33)
InChIKeyFLBRRGXXEVGDAE-UHFFFAOYSA-N
MW502.50 g/mol
LogP5.93
Rot. Bonds6

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

5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide (PubChem CID 90343103) has the molecular formula C27H23FN4O5 and a molecular weight of 502.50 g/mol. Its IUPAC name is 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
PubChem CID90343103
Molecular FormulaC27H23FN4O5
Molecular Weight502.50 g/mol
Exact Mass502.17
IUPAC Name5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(OC)c(OC)cc45)ccc32)cc1
InChIInChI=1S/C27H23FN4O5/c1-15-11-19-21(32(15)27(33)31-16-5-7-17(34-2)8-6-16)9-10-22(25(19)28)37-26-18-12-23(35-3)24(36-4)13-20(18)29-14-30-26/h5-14H,1-4H3,(H,31,33)
InChIKeyFLBRRGXXEVGDAE-UHFFFAOYSA-N
XLogP5.93
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The IUPAC name of 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide (CID 90343103) is 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide.
What is the SMILES notation for 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The canonical SMILES for 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide is COc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(OC)c(OC)cc45)ccc32)cc1.
What is the InChIKey of 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
The InChIKey is FLBRRGXXEVGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O5/c1-15-11-19-21(32(15)27(33)31-16-5-7-17(34-2)8-6-16)9-10-22(25(19)28)37-26-18-12-23(35-3)24(36-4)13-20(18)29-14-30-26/h5-14H,1-4H3,(H,31,33).
What are the key properties of 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide?
5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide is sourced from PubChem (CID 90343103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).