N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide

C22H16ClN3O — CID 3611934

IUPACN-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16ClN3O/c23-18-9-3-1-7-15(18)14-25-22(27)17-13-21(20-11-5-6-12-24-20)26-19-10-4-2-8-16(17)19/h1-13H,14H2,(H,25,27)
InChIKeyMMIOJAXFAJLENS-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.88
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 3611934) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID3611934
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16ClN3O/c23-18-9-3-1-7-15(18)14-25-22(27)17-13-21(20-11-5-6-12-24-20)26-19-10-4-2-8-16(17)19/h1-13H,14H2,(H,25,27)
InChIKeyMMIOJAXFAJLENS-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4244425
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798361
7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 39045993
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 3611934) is N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is MMIOJAXFAJLENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-9-3-1-7-15(18)14-25-22(27)17-13-21(20-11-5-6-12-24-20)26-19-10-4-2-8-16(17)19/h1-13H,14H2,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3611934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).