(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

C23H25NO2S — CID 11474450

IUPAC(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1-c1ccsc1
InChIInChI=1S/C23H25NO2S/c1-3-15-12-19-13-17(23(25)16-4-7-20(26-2)8-5-16)6-9-21(19)24-22(15)18-10-11-27-14-18/h6,9-14,16,20H,3-5,7-8H2,1-2H3
InChIKeyKPQFFGITPXRODU-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.91
Rot. Bonds5

About (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 11474450) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
PubChem CID11474450
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1-c1ccsc1
InChIInChI=1S/C23H25NO2S/c1-3-15-12-19-13-17(23(25)16-4-7-20(26-2)8-5-16)6-9-21(19)24-22(15)18-10-11-27-14-18/h6,9-14,16,20H,3-5,7-8H2,1-2H3
InChIKeyKPQFFGITPXRODU-UHFFFAOYSA-N
XLogP5.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone with MolForge

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Related Compounds

(3-Ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
CID 9948645
3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]-2-(11C)methylquinoline
CID 9972691
(2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11483690
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
(4-Methoxy-cyclohexyl)-(2-methyl-3-propyl-quinolin-6-yl)-methanone
CID 11232604
(2,3-Dihydro-thieno[2,3-b]quinolin-6-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11232687
(4-Methoxy-cyclohexyl)-(2-propyl-quinolin-6-yl)-methanone
CID 11255377
3-Ethyl-6-(4-methoxy-cyclohexanecarbonyl)-quinoline-2-carbonitrile
CID 11347844
N-(2,4-dimethylphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 998563
(4-Methoxy-cyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)-methanone
CID 11209923
1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-(4-methoxy-cyclohexyl)-ethanone
CID 11324832

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (CID 11474450) is (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1-c1ccsc1.
What is the InChIKey of (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is KPQFFGITPXRODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-3-15-12-19-13-17(23(25)16-4-7-20(26-2)8-5-16)6-9-21(19)24-22(15)18-10-11-27-14-18/h6,9-14,16,20H,3-5,7-8H2,1-2H3.
What are the key properties of (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
(3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 379.53 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-thiophen-3-ylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 11474450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).