(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone

C20H25NO2 — CID 11255377

IUPAC(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone
SMILESCCCc1ccc2cc(C(=O)C3CCC(OC)CC3)ccc2n1
InChIInChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyLHSDTLBODBZDKZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.58
Rot. Bonds5

About (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone

(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone (PubChem CID 11255377) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone
PubChem CID11255377
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone
SMILESCCCc1ccc2cc(C(=O)C3CCC(OC)CC3)ccc2n1
InChIInChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyLHSDTLBODBZDKZ-UHFFFAOYSA-N
XLogP4.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]-2-(11C)methylquinoline
CID 9972691
Jnj16259685
CID 11313361
(3-Ethyl-2-methoxyquinolin-6-yl)(4-methoxycyclohexyl)methanone
CID 10245890
(3-Ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
CID 9948645
(2-Amino-3-ethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11461116
(2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11483690
2-Methylacridine-9-carbaldehyde
CID 2724174
(2-Methyl-4-phenyl-3-quinolinyl)(phenyl)methanone
CID 1215171
1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-phenyl-ethanone
CID 10085578
Methanone, (3-ethyl-2-fluoro-6-quinolinyl)(cis-4-methoxycyclohexyl)-
CID 11174504
(3-Ethyl-2-iodo-quinolin-6-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11177701
3-Ethyl-6-[(4-methoxycyclohexyl)carbonyl]quinoline
CID 11220222

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone?
The IUPAC name of (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone (CID 11255377) is (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone.
What is the SMILES notation for (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone?
The canonical SMILES for (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone is CCCc1ccc2cc(C(=O)C3CCC(OC)CC3)ccc2n1.
What is the InChIKey of (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone?
The InChIKey is LHSDTLBODBZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone?
(4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)-(2-propylquinolin-6-yl)methanone is sourced from PubChem (CID 11255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).