N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide

C23H16ClN3O2 — CID 1222709

IUPACN-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H16ClN3O2/c24-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)23(29)26-17-11-7-15(8-12-17)22(25)28/h1-13H,(H2,25,28)(H,26,29)
InChIKeyZAWOEMILFIBXEJ-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.91
Rot. Bonds4

About N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide

N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide (PubChem CID 1222709) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
PubChem CID1222709
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC NameN-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H16ClN3O2/c24-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)23(29)26-17-11-7-15(8-12-17)22(25)28/h1-13H,(H2,25,28)(H,26,29)
InChIKeyZAWOEMILFIBXEJ-UHFFFAOYSA-N
XLogP4.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
CID 60610827
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide (CID 1222709) is N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is ZAWOEMILFIBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c24-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)23(29)26-17-11-7-15(8-12-17)22(25)28/h1-13H,(H2,25,28)(H,26,29).
What are the key properties of N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1222709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).