5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H24N2O — CID 81109436

IUPAC5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H24N2O/c1-11-5-7-12(8-6-11)17-14-3-2-4-15-13(14)9-10-16(19)18-15/h9-12,14,17H,2-8H2,1H3,(H,18,19)
InChIKeyFOMWKQFIHMNYGQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds2

About 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81109436) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81109436
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H24N2O/c1-11-5-7-12(8-6-11)17-14-3-2-4-15-13(14)9-10-16(19)18-15/h9-12,14,17H,2-8H2,1H3,(H,18,19)
InChIKeyFOMWKQFIHMNYGQ-UHFFFAOYSA-N
XLogP2.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81109436) is 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1.
What is the InChIKey of 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FOMWKQFIHMNYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-7-12(8-6-11)17-14-3-2-4-15-13(14)9-10-16(19)18-15/h9-12,14,17H,2-8H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81109436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).