N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C27H25ClN2O2 — CID 46098242

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC(C)Cc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25ClN2O2/c1-3-32-22-14-10-20(11-15-22)26-17-24(23-6-4-5-7-25(23)30-26)27(31)29-18(2)16-19-8-12-21(28)13-9-19/h4-15,17-18H,3,16H2,1-2H3,(H,29,31)
InChIKeyGOFVHGWBUTYDMT-UHFFFAOYSA-N
MW444.96 g/mol
LogP6.31
Rot. Bonds7

About N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 46098242) has the molecular formula C27H25ClN2O2 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID46098242
Molecular FormulaC27H25ClN2O2
Molecular Weight444.96 g/mol
Exact Mass444.16
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC(C)Cc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25ClN2O2/c1-3-32-22-14-10-20(11-15-22)26-17-24(23-6-4-5-7-25(23)30-26)27(31)29-18(2)16-19-8-12-21(28)13-9-19/h4-15,17-18H,3,16H2,1-2H3,(H,29,31)
InChIKeyGOFVHGWBUTYDMT-UHFFFAOYSA-N
XLogP6.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 124582230
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 46098242) is N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NC(C)Cc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is GOFVHGWBUTYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O2/c1-3-32-22-14-10-20(11-15-22)26-17-24(23-6-4-5-7-25(23)30-26)27(31)29-18(2)16-19-8-12-21(28)13-9-19/h4-15,17-18H,3,16H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 444.96 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 46098242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).