N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C22H16ClN3O — CID 5239523

IUPACN-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C22H16ClN3O/c1-14-6-4-7-15(12-14)20-13-17(16-8-2-3-9-18(16)25-20)22(27)26-19-10-5-11-24-21(19)23/h2-13H,1H3,(H,26,27)
InChIKeyINXKUFMSNGIMKQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.51
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 5239523) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID5239523
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C22H16ClN3O/c1-14-6-4-7-15(12-14)20-13-17(16-8-2-3-9-18(16)25-20)22(27)26-19-10-5-11-24-21(19)23/h2-13H,1H3,(H,26,27)
InChIKeyINXKUFMSNGIMKQ-UHFFFAOYSA-N
XLogP5.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 5239523) is N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)c3ccccc3n2)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is INXKUFMSNGIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-14-6-4-7-15(12-14)20-13-17(16-8-2-3-9-18(16)25-20)22(27)26-19-10-5-11-24-21(19)23/h2-13H,1H3,(H,26,27).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5239523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).