2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide

C26H23FN2O3 — CID 24684668

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3F)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H23FN2O3/c1-29(16-18-8-4-6-10-21(18)27)26(30)20-15-23(28-22-11-7-5-9-19(20)22)17-12-13-24(31-2)25(14-17)32-3/h4-15H,16H2,1-3H3
InChIKeyOQPYHQJIBPDVRR-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.33
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 24684668) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID24684668
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3F)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H23FN2O3/c1-29(16-18-8-4-6-10-21(18)27)26(30)20-15-23(28-22-11-7-5-9-19(20)22)17-12-13-24(31-2)25(14-17)32-3/h4-15H,16H2,1-3H3
InChIKeyOQPYHQJIBPDVRR-UHFFFAOYSA-N
XLogP5.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide (CID 24684668) is 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3F)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is OQPYHQJIBPDVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-29(16-18-8-4-6-10-21(18)27)26(30)20-15-23(28-22-11-7-5-9-19(20)22)17-12-13-24(31-2)25(14-17)32-3/h4-15H,16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 24684668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).