N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide

C24H17Cl2N3O2 — CID 23796306

IUPACN-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide
SMILESO=C(NC(C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C24H17Cl2N3O2/c25-17-11-8-16(9-12-17)22(24(31)27-19-6-3-5-18(26)14-19)29-23(30)21-13-10-15-4-1-2-7-20(15)28-21/h1-14,22H,(H,27,31)(H,29,30)
InChIKeyVXQHSPAYMHNXCJ-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.65
Rot. Bonds5

About N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide

N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide (PubChem CID 23796306) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide
PubChem CID23796306
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC NameN-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide
SMILESO=C(NC(C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C24H17Cl2N3O2/c25-17-11-8-16(9-12-17)22(24(31)27-19-6-3-5-18(26)14-19)29-23(30)21-13-10-15-4-1-2-7-20(15)28-21/h1-14,22H,(H,27,31)(H,29,30)
InChIKeyVXQHSPAYMHNXCJ-UHFFFAOYSA-N
XLogP5.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)-2-formamidoacetamide
CID 685016
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide (CID 23796306) is N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide is O=C(NC(C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide?
The InChIKey is VXQHSPAYMHNXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-17-11-8-16(9-12-17)22(24(31)27-19-6-3-5-18(26)14-19)29-23(30)21-13-10-15-4-1-2-7-20(15)28-21/h1-14,22H,(H,27,31)(H,29,30).
What are the key properties of N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide?
N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide has a molecular weight of 450.33 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide is sourced from PubChem (CID 23796306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).