N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C24H20FN3O — CID 43017642

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H20FN3O/c1-2-28(16-17-6-5-7-19(25)14-17)24(29)21-15-23(18-10-12-26-13-11-18)27-22-9-4-3-8-20(21)22/h3-15H,2,16H2,1H3
InChIKeyIQIIKZAKILDOII-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.10
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 43017642) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID43017642
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H20FN3O/c1-2-28(16-17-6-5-7-19(25)14-17)24(29)21-15-23(18-10-12-26-13-11-18)27-22-9-4-3-8-20(21)22/h3-15H,2,16H2,1H3
InChIKeyIQIIKZAKILDOII-UHFFFAOYSA-N
XLogP5.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46471508
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72939169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 43017642) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is IQIIKZAKILDOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-2-28(16-17-6-5-7-19(25)14-17)24(29)21-15-23(18-10-12-26-13-11-18)27-22-9-4-3-8-20(21)22/h3-15H,2,16H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 43017642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).