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

C25H21FN2O2 — CID 24685237

IUPAC2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C25H21FN2O2/c1-28(16-17-6-5-7-20(14-17)30-2)25(29)22-15-24(18-10-12-19(26)13-11-18)27-23-9-4-3-8-21(22)23/h3-15H,16H2,1-2H3
InChIKeyKQPNKQNNZFWIHT-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.32
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 24685237) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID24685237
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C25H21FN2O2/c1-28(16-17-6-5-7-20(14-17)30-2)25(29)22-15-24(18-10-12-19(26)13-11-18)27-23-9-4-3-8-21(22)23/h3-15H,16H2,1-2H3
InChIKeyKQPNKQNNZFWIHT-UHFFFAOYSA-N
XLogP5.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dibucaine
CID 3025
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
Biarylether amide quinoline, 4g
CID 44123769
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4e
CID 44472995
Biarylether amide quinoline, 4f
CID 44472996
3-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850984
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methylquinoline-2-carbonyl)piperazin-2-one
CID 122600574
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 24685237) is 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is KQPNKQNNZFWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-28(16-17-6-5-7-20(14-17)30-2)25(29)22-15-24(18-10-12-19(26)13-11-18)27-23-9-4-3-8-21(22)23/h3-15H,16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 24685237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).