N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide

C26H33N3O3 — CID 55917484

IUPACN-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H33N3O3/c1-18-15-20(26(31)28-21-8-4-3-5-9-21)10-12-23(18)27-17-25(30)29-14-6-7-19-16-22(32-2)11-13-24(19)29/h10-13,15-16,21,27H,3-9,14,17H2,1-2H3,(H,28,31)
InChIKeyJSINVCPTHRNUQY-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.46
Rot. Bonds6

About N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide

N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide (PubChem CID 55917484) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
PubChem CID55917484
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H33N3O3/c1-18-15-20(26(31)28-21-8-4-3-5-9-21)10-12-23(18)27-17-25(30)29-14-6-7-19-16-22(32-2)11-13-24(19)29/h10-13,15-16,21,27H,3-9,14,17H2,1-2H3,(H,28,31)
InChIKeyJSINVCPTHRNUQY-UHFFFAOYSA-N
XLogP4.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide with MolForge

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Related Compounds

N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37473319
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919154
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55853548
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
CID 55542143
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
CID 55917739

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide (CID 55917484) is N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide is COc1ccc2c(c1)CCCN2C(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The InChIKey is JSINVCPTHRNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18-15-20(26(31)28-21-8-4-3-5-9-21)10-12-23(18)27-17-25(30)29-14-6-7-19-16-22(32-2)11-13-24(19)29/h10-13,15-16,21,27H,3-9,14,17H2,1-2H3,(H,28,31).
What are the key properties of N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide has a molecular weight of 435.57 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide is sourced from PubChem (CID 55917484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).