7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one

C19H25N3O — CID 70467206

IUPAC7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one
SMILESO=C1C=c2ccc(N3CCNC(C4CCCCC4)C3)cc2=NC1
InChIInChI=1S/C19H25N3O/c23-17-10-15-6-7-16(11-18(15)21-12-17)22-9-8-20-19(13-22)14-4-2-1-3-5-14/h6-7,10-11,14,19-20H,1-5,8-9,12-13H2
InChIKeySGAXZBPXFSABJQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.03
Rot. Bonds2

About 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one

7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one (PubChem CID 70467206) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one.

Molecular Properties

Compound Name7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one
PubChem CID70467206
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one
SMILESO=C1C=c2ccc(N3CCNC(C4CCCCC4)C3)cc2=NC1
InChIInChI=1S/C19H25N3O/c23-17-10-15-6-7-16(11-18(15)21-12-17)22-9-8-20-19(13-22)14-4-2-1-3-5-14/h6-7,10-11,14,19-20H,1-5,8-9,12-13H2
InChIKeySGAXZBPXFSABJQ-UHFFFAOYSA-N
XLogP1.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one?
The IUPAC name of 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one (CID 70467206) is 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one.
What is the SMILES notation for 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one?
The canonical SMILES for 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one is O=C1C=c2ccc(N3CCNC(C4CCCCC4)C3)cc2=NC1.
What is the InChIKey of 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one?
The InChIKey is SGAXZBPXFSABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-17-10-15-6-7-16(11-18(15)21-12-17)22-9-8-20-19(13-22)14-4-2-1-3-5-14/h6-7,10-11,14,19-20H,1-5,8-9,12-13H2.
What are the key properties of 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one?
7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one has a molecular weight of 311.43 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclohexylpiperazin-1-yl)-2H-quinolin-3-one is sourced from PubChem (CID 70467206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).