4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one

C16H23NO — CID 168964656

IUPAC4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one
SMILESCC1CCC2=C(C=CCC2)N1C1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-12-6-7-13-4-2-3-5-16(13)17(12)14-8-10-15(18)11-9-14/h3,5,12,14H,2,4,6-11H2,1H3
InChIKeySUYPDHFEARUDTF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.59
Rot. Bonds1

About 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one

4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one (PubChem CID 168964656) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one
PubChem CID168964656
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one
SMILESCC1CCC2=C(C=CCC2)N1C1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-12-6-7-13-4-2-3-5-16(13)17(12)14-8-10-15(18)11-9-14/h3,5,12,14H,2,4,6-11H2,1H3
InChIKeySUYPDHFEARUDTF-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one (CID 168964656) is 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one is CC1CCC2=C(C=CCC2)N1C1CCC(=O)CC1.
What is the InChIKey of 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one?
The InChIKey is SUYPDHFEARUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-13-4-2-3-5-16(13)17(12)14-8-10-15(18)11-9-14/h3,5,12,14H,2,4,6-11H2,1H3.
What are the key properties of 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one?
4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 168964656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).