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

C23H23FN4O2 — CID 90352341

IUPAC5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide
SMILESCCCNC(=O)n1c(C)cc2c(F)c(Oc3ncnc4cc(C)c(C)cc34)ccc21
InChIInChI=1S/C23H23FN4O2/c1-5-8-25-23(29)28-15(4)11-17-19(28)6-7-20(21(17)24)30-22-16-9-13(2)14(3)10-18(16)26-12-27-22/h6-7,9-12H,5,8H2,1-4H3,(H,25,29)
InChIKeyCPXPGRMWMRQAHT-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.41
Rot. Bonds4

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

5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide (PubChem CID 90352341) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide.

Molecular Properties

Compound Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide
PubChem CID90352341
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide
SMILESCCCNC(=O)n1c(C)cc2c(F)c(Oc3ncnc4cc(C)c(C)cc34)ccc21
InChIInChI=1S/C23H23FN4O2/c1-5-8-25-23(29)28-15(4)11-17-19(28)6-7-20(21(17)24)30-22-16-9-13(2)14(3)10-18(16)26-12-27-22/h6-7,9-12H,5,8H2,1-4H3,(H,25,29)
InChIKeyCPXPGRMWMRQAHT-UHFFFAOYSA-N
XLogP5.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide?
The IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide (CID 90352341) is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide.
What is the SMILES notation for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide?
The canonical SMILES for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide is CCCNC(=O)n1c(C)cc2c(F)c(Oc3ncnc4cc(C)c(C)cc34)ccc21.
What is the InChIKey of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide?
The InChIKey is CPXPGRMWMRQAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-5-8-25-23(29)28-15(4)11-17-19(28)6-7-20(21(17)24)30-22-16-9-13(2)14(3)10-18(16)26-12-27-22/h6-7,9-12H,5,8H2,1-4H3,(H,25,29).
What are the key properties of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide?
5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-propylindole-1-carboxamide is sourced from PubChem (CID 90352341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).