(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone

C19H27N3O — CID 170439418

IUPAC(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(C2CCCCC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c23-19(20-12-6-7-13-20)22-15-14-21(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22/h4-5,10-11,16H,1-3,6-9,12-15H2
InChIKeyXQLXRRUBBDBCHA-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.86
Rot. Bonds1

About (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone

(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 170439418) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID170439418
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(C2CCCCC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c23-19(20-12-6-7-13-20)22-15-14-21(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22/h4-5,10-11,16H,1-3,6-9,12-15H2
InChIKeyXQLXRRUBBDBCHA-UHFFFAOYSA-N
XLogP3.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 170439553
1-[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 110742540
(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 170439456
piperidin-1-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 79155023
azepan-1-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 79151682
2-tert-butyl-3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 170439603
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656081
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 79156252
2-[(6aS)-6a,7,8,9,10,11-hexahydro-6H-azepino[1,2-a]quinoxalin-5-yl]acetamide
CID 129409111
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
CID 71661221

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone (CID 170439418) is (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(C2CCCCC2)c2ccccc21.
What is the InChIKey of (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is XQLXRRUBBDBCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(20-12-6-7-13-20)22-15-14-21(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22/h4-5,10-11,16H,1-3,6-9,12-15H2.
What are the key properties of (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone?
(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 313.44 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170439418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).