N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide

C19H25N3O3 — CID 7657185

IUPACN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C19H25N3O3/c1-12(2)11-20-17(23)18(24)21-15-7-8-16-14(10-15)4-3-9-22(16)19(25)13-5-6-13/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAJTSDQGDNUSPKH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds4

About N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide

N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide (PubChem CID 7657185) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
PubChem CID7657185
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C19H25N3O3/c1-12(2)11-20-17(23)18(24)21-15-7-8-16-14(10-15)4-3-9-22(16)19(25)13-5-6-13/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAJTSDQGDNUSPKH-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.09
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'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 7657138
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7586576
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate
CID 7498545
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide (CID 7657185) is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide?
The InChIKey is AJTSDQGDNUSPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)11-20-17(23)18(24)21-15-7-8-16-14(10-15)4-3-9-22(16)19(25)13-5-6-13/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide?
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide has a molecular weight of 343.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 7657185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).