1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile

C19H23N3O — CID 130336630

IUPAC1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
SMILESCN(CCn1c(=O)ccc2ccc(C#N)cc21)C1CCCCC1
InChIInChI=1S/C19H23N3O/c1-21(17-5-3-2-4-6-17)11-12-22-18-13-15(14-20)7-8-16(18)9-10-19(22)23/h7-10,13,17H,2-6,11-12H2,1H3
InChIKeyXBCHXCKQGLAITD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile

1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile (PubChem CID 130336630) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
PubChem CID130336630
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
SMILESCN(CCn1c(=O)ccc2ccc(C#N)cc21)C1CCCCC1
InChIInChI=1S/C19H23N3O/c1-21(17-5-3-2-4-6-17)11-12-22-18-13-15(14-20)7-8-16(18)9-10-19(22)23/h7-10,13,17H,2-6,11-12H2,1H3
InChIKeyXBCHXCKQGLAITD-UHFFFAOYSA-N
XLogP3.14
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
CID 130303541
1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
CID 68610480
N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160350
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
CID 175061198
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzonitrile
CID 102665289
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
1-[2-[[(3aS,6S,7aR)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]-(2-aminoethyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130303453
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile (CID 130336630) is 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile is CN(CCn1c(=O)ccc2ccc(C#N)cc21)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile?
The InChIKey is XBCHXCKQGLAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(17-5-3-2-4-6-17)11-12-22-18-13-15(14-20)7-8-16(18)9-10-19(22)23/h7-10,13,17H,2-6,11-12H2,1H3.
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile?
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile has a molecular weight of 309.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile is sourced from PubChem (CID 130336630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).