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

C25H22FN3O2 — CID 8834218

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H22FN3O2/c1-3-29(16-17-8-9-24(31-2)21(26)14-17)25(30)20-15-23(18-10-12-27-13-11-18)28-22-7-5-4-6-19(20)22/h4-15H,3,16H2,1-2H3
InChIKeyMGLAVCCAAIDJJI-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.11
Rot. Bonds6

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

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 8834218) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID8834218
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H22FN3O2/c1-3-29(16-17-8-9-24(31-2)21(26)14-17)25(30)20-15-23(18-10-12-27-13-11-18)28-22-7-5-4-6-19(20)22/h4-15H,3,16H2,1-2H3
InChIKeyMGLAVCCAAIDJJI-UHFFFAOYSA-N
XLogP5.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43017642
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 42381836
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18192659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 8834218) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is MGLAVCCAAIDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-3-29(16-17-8-9-24(31-2)21(26)14-17)25(30)20-15-23(18-10-12-27-13-11-18)28-22-7-5-4-6-19(20)22/h4-15H,3,16H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 8834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).