N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H24N2O3S — CID 166413320

IUPACN-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)N=S(C)(=O)C3CCCC3)ccc21
InChIInChI=1S/C19H24N2O3S/c1-3-18(22)21-12-6-7-14-13-15(10-11-17(14)21)19(23)20-25(2,24)16-8-4-5-9-16/h3,10-11,13,16H,1,4-9,12H2,2H3
InChIKeyCRHRARNIWPROKK-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.33
Rot. Bonds3

About N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166413320) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166413320
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)N=S(C)(=O)C3CCCC3)ccc21
InChIInChI=1S/C19H24N2O3S/c1-3-18(22)21-12-6-7-14-13-15(10-11-17(14)21)19(23)20-25(2,24)16-8-4-5-9-16/h3,10-11,13,16H,1,4-9,12H2,2H3
InChIKeyCRHRARNIWPROKK-UHFFFAOYSA-N
XLogP3.33
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylsulfonylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167925841
1-[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413208
methyl (3S)-1-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidine-3-carboxylate
CID 166413264
1-[6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413350
N-(2,2-dimethyl-1,1-dioxothietan-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413254
N-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167941860
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
N'-(1-methyl-6-oxopyridine-3-carbonyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbohydrazide
CID 166413315
N-(4-methylsulfinylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413269
N-methyl-N-(2-phenylethyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413225
1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
CID 166413301
N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413158

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166413320) is N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is C=CC(=O)N1CCCc2cc(C(=O)N=S(C)(=O)C3CCCC3)ccc21.
What is the InChIKey of N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is CRHRARNIWPROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-18(22)21-12-6-7-14-13-15(10-11-17(14)21)19(23)20-25(2,24)16-8-4-5-9-16/h3,10-11,13,16H,1,4-9,12H2,2H3.
What are the key properties of N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).