5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H22N2O — CID 81108121

IUPAC5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NC1CCCCC1
InChIInChI=1S/C15H22N2O/c18-15-10-9-12-13(7-4-8-14(12)17-15)16-11-5-2-1-3-6-11/h9-11,13,16H,1-8H2,(H,17,18)
InChIKeyHNTUCJQAPIYMCB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds2

About 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108121) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108121
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NC1CCCCC1
InChIInChI=1S/C15H22N2O/c18-15-10-9-12-13(7-4-8-14(12)17-15)16-11-5-2-1-3-6-11/h9-11,13,16H,1-8H2,(H,17,18)
InChIKeyHNTUCJQAPIYMCB-UHFFFAOYSA-N
XLogP2.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108121) is 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HNTUCJQAPIYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-10-9-12-13(7-4-8-14(12)17-15)16-11-5-2-1-3-6-11/h9-11,13,16H,1-8H2,(H,17,18).
What are the key properties of 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).