N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide

C19H25N3O3 — CID 7586298

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C19H25N3O3/c1-13(23)22-11-5-6-14-9-10-16(12-17(14)22)21-19(25)18(24)20-15-7-3-2-4-8-15/h9-10,12,15H,2-8,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyNQBRJTZDUOICDV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.37
Rot. Bonds2

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide (PubChem CID 7586298) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
PubChem CID7586298
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C19H25N3O3/c1-13(23)22-11-5-6-14-9-10-16(12-17(14)22)21-19(25)18(24)20-15-7-3-2-4-8-15/h9-10,12,15H,2-8,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyNQBRJTZDUOICDV-UHFFFAOYSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
CID 7586388
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide (CID 7586298) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide is CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CCCCC3)cc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide?
The InChIKey is NQBRJTZDUOICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)22-11-5-6-14-9-10-16(12-17(14)22)21-19(25)18(24)20-15-7-3-2-4-8-15/h9-10,12,15H,2-8,11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide has a molecular weight of 343.43 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide is sourced from PubChem (CID 7586298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).