N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C23H17ClFN3O — CID 30278783

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H17ClFN3O/c1-28(14-18-19(24)6-4-7-20(18)25)23(29)17-13-22(15-9-11-26-12-10-15)27-21-8-3-2-5-16(17)21/h2-13H,14H2,1H3
InChIKeyYDFQRQDXCNURDE-UHFFFAOYSA-N
MW405.86 g/mol
LogP5.36
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 30278783) has the molecular formula C23H17ClFN3O and a molecular weight of 405.86 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID30278783
Molecular FormulaC23H17ClFN3O
Molecular Weight405.86 g/mol
Exact Mass405.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H17ClFN3O/c1-28(14-18-19(24)6-4-7-20(18)25)23(29)17-13-22(15-9-11-26-12-10-15)27-21-8-3-2-5-16(17)21/h2-13H,14H2,1H3
InChIKeyYDFQRQDXCNURDE-UHFFFAOYSA-N
XLogP5.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.86
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18209165
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43017642
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 30278783) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is YDFQRQDXCNURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O/c1-28(14-18-19(24)6-4-7-20(18)25)23(29)17-13-22(15-9-11-26-12-10-15)27-21-8-3-2-5-16(17)21/h2-13H,14H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 405.86 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 30278783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).