2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide

C25H29N3O2 — CID 20854497

IUPAC2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)NC3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H29N3O2/c1-3-30-20-14-12-18(13-15-20)26-24-16-22(21-6-4-5-7-23(21)28-24)25(29)27-19-10-8-17(2)9-11-19/h4-7,12-17,19H,3,8-11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRYRKDOHRTRFHMK-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.69
Rot. Bonds6

About 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide

2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 20854497) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID20854497
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)NC3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H29N3O2/c1-3-30-20-14-12-18(13-15-20)26-24-16-22(21-6-4-5-7-23(21)28-24)25(29)27-19-10-8-17(2)9-11-19/h4-7,12-17,19H,3,8-11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRYRKDOHRTRFHMK-UHFFFAOYSA-N
XLogP5.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
CID 117090375
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
CID 133388065
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide (CID 20854497) is 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)NC3CCC(C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is RYRKDOHRTRFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-30-20-14-12-18(13-15-20)26-24-16-22(21-6-4-5-7-23(21)28-24)25(29)27-19-10-8-17(2)9-11-19/h4-7,12-17,19H,3,8-11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 20854497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).