N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H13Cl2N3O — CID 2339769

IUPACN-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-17-6-5-14(11-18(17)23)25-21(27)16-12-20(13-7-9-24-10-8-13)26-19-4-2-1-3-15(16)19/h1-12H,(H,25,27)
InChIKeyHQMGNDUOQIRUJF-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.86
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2339769) has the molecular formula C21H13Cl2N3O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2339769
Molecular FormulaC21H13Cl2N3O
Molecular Weight394.26 g/mol
Exact Mass393.04
IUPAC NameN-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-17-6-5-14(11-18(17)23)25-21(27)16-12-20(13-7-9-24-10-8-13)26-19-4-2-1-3-15(16)19/h1-12H,(H,25,27)
InChIKeyHQMGNDUOQIRUJF-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 41173034
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2339769) is N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is HQMGNDUOQIRUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O/c22-17-6-5-14(11-18(17)23)25-21(27)16-12-20(13-7-9-24-10-8-13)26-19-4-2-1-3-15(16)19/h1-12H,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2339769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).