2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

C26H23ClN2O3 — CID 1221492

IUPAC2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C26H23ClN2O3/c1-31-24-12-11-17(15-25(24)32-2)13-14-28-26(30)20-16-23(19-8-3-5-9-21(19)27)29-22-10-6-4-7-18(20)22/h3-12,15-16H,13-14H2,1-2H3,(H,28,30)
InChIKeyPLWNFKWGMMHNIP-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.54
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 1221492) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID1221492
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C26H23ClN2O3/c1-31-24-12-11-17(15-25(24)32-2)13-14-28-26(30)20-16-23(19-8-3-5-9-21(19)27)29-22-10-6-4-7-18(20)22/h3-12,15-16H,13-14H2,1-2H3,(H,28,30)
InChIKeyPLWNFKWGMMHNIP-UHFFFAOYSA-N
XLogP5.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 59170186
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
CID 42024551

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (CID 1221492) is 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is PLWNFKWGMMHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-31-24-12-11-17(15-25(24)32-2)13-14-28-26(30)20-16-23(19-8-3-5-9-21(19)27)29-22-10-6-4-7-18(20)22/h3-12,15-16H,13-14H2,1-2H3,(H,28,30).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 1221492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).