4-(4-methylquinolin-2-yl)cyclohexan-1-one

C16H17NO — CID 162401724

IUPAC4-(4-methylquinolin-2-yl)cyclohexan-1-one
SMILESCc1cc(C2CCC(=O)CC2)nc2ccccc12
InChIInChI=1S/C16H17NO/c1-11-10-16(12-6-8-13(18)9-7-12)17-15-5-3-2-4-14(11)15/h2-5,10,12H,6-9H2,1H3
InChIKeyDNEDDEIDGNVXEQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.77
Rot. Bonds1

About 4-(4-methylquinolin-2-yl)cyclohexan-1-one

4-(4-methylquinolin-2-yl)cyclohexan-1-one (PubChem CID 162401724) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(4-methylquinolin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-methylquinolin-2-yl)cyclohexan-1-one
PubChem CID162401724
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(4-methylquinolin-2-yl)cyclohexan-1-one
SMILESCc1cc(C2CCC(=O)CC2)nc2ccccc12
InChIInChI=1S/C16H17NO/c1-11-10-16(12-6-8-13(18)9-7-12)17-15-5-3-2-4-14(11)15/h2-5,10,12H,6-9H2,1H3
InChIKeyDNEDDEIDGNVXEQ-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
4-chloro-2-cyclopropylquinoline
CID 63357870
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
2,4-di(cycloheptyl)quinoline
CID 102287127
4-isoquinolin-3-ylcyclohexan-1-one
CID 59906403
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
4-methylquinoline-2-carbaldehyde
CID 12735795
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
4-methylquinoline-2-sulfonic acid
CID 119081997
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylquinolin-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(4-methylquinolin-2-yl)cyclohexan-1-one (CID 162401724) is 4-(4-methylquinolin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-methylquinolin-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4-methylquinolin-2-yl)cyclohexan-1-one is Cc1cc(C2CCC(=O)CC2)nc2ccccc12.
What is the InChIKey of 4-(4-methylquinolin-2-yl)cyclohexan-1-one?
The InChIKey is DNEDDEIDGNVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-10-16(12-6-8-13(18)9-7-12)17-15-5-3-2-4-14(11)15/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 4-(4-methylquinolin-2-yl)cyclohexan-1-one?
4-(4-methylquinolin-2-yl)cyclohexan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylquinolin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 162401724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).