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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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).