3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide

C21H25N3O2S — CID 14373100

IUPAC3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide
SMILESCSc1c(C#N)c(=O)n2ccccc2c1C(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C21H25N3O2S/c1-14(2)24(15-9-5-4-6-10-15)21(26)18-17-11-7-8-12-23(17)20(25)16(13-22)19(18)27-3/h7-8,11-12,14-15H,4-6,9-10H2,1-3H3
InChIKeyZZNHWGNLIFNAFK-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.08
Rot. Bonds4

About 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide

3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide (PubChem CID 14373100) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide
PubChem CID14373100
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide
SMILESCSc1c(C#N)c(=O)n2ccccc2c1C(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C21H25N3O2S/c1-14(2)24(15-9-5-4-6-10-15)21(26)18-17-11-7-8-12-23(17)20(25)16(13-22)19(18)27-3/h7-8,11-12,14-15H,4-6,9-10H2,1-3H3
InChIKeyZZNHWGNLIFNAFK-UHFFFAOYSA-N
XLogP4.08
TPSA65.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide with MolForge

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Related Compounds

2-methylsulfanyl-4-oxo-1-(piperidine-1-carbonyl)quinolizine-3-carbonitrile
CID 14373111
cyclohex-2-en-1-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 15055648
butan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 15055682
1-[2-(2-methylphenyl)acetyl]-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile
CID 14373129
ethyl 3-cyano-2-(2-methylprop-2-enylsulfanyl)-4-oxoquinolizine-1-carboxylate
CID 19843302
ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
CID 14551503
N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
CID 20865413
ethyl 2-[(4-amino-2-methylpyrimidin-5-yl)-methylamino]-3-cyano-4-oxoquinolizine-1-carboxylate
CID 56614968
N-cyclopentyl-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56517670
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 8981515
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile
CID 139691858

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide?
The IUPAC name of 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide (CID 14373100) is 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide?
The canonical SMILES for 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide is CSc1c(C#N)c(=O)n2ccccc2c1C(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide?
The InChIKey is ZZNHWGNLIFNAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14(2)24(15-9-5-4-6-10-15)21(26)18-17-11-7-8-12-23(17)20(25)16(13-22)19(18)27-3/h7-8,11-12,14-15H,4-6,9-10H2,1-3H3.
What are the key properties of 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide?
3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide is sourced from PubChem (CID 14373100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).