N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide

C15H19N3O4S — CID 7658172

IUPACN-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NC3CC3)ccc21
InChIInChI=1S/C15H19N3O4S/c1-23(21,22)18-8-2-3-10-9-12(6-7-13(10)18)17-15(20)14(19)16-11-4-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyGPRFVBDTZBKRLZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.62
Rot. Bonds3

About N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide

N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide (PubChem CID 7658172) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
PubChem CID7658172
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NC3CC3)ccc21
InChIInChI=1S/C15H19N3O4S/c1-23(21,22)18-8-2-3-10-9-12(6-7-13(10)18)17-15(20)14(19)16-11-4-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyGPRFVBDTZBKRLZ-UHFFFAOYSA-N
XLogP0.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119228969
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The IUPAC name of N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide (CID 7658172) is N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide is CS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The InChIKey is GPRFVBDTZBKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-23(21,22)18-8-2-3-10-9-12(6-7-13(10)18)17-15(20)14(19)16-11-4-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide has a molecular weight of 337.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide is sourced from PubChem (CID 7658172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).