(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone

C21H27NO2 — CID 11232604

IUPAC(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone
SMILESCCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C
InChIInChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3
InChIKeyXNZYJIGZEOJXTK-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.88
Rot. Bonds5

About (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone

(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone (PubChem CID 11232604) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone
PubChem CID11232604
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone
SMILESCCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C
InChIInChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3
InChIKeyXNZYJIGZEOJXTK-UHFFFAOYSA-N
XLogP4.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone?
The IUPAC name of (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone (CID 11232604) is (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone.
What is the SMILES notation for (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone?
The canonical SMILES for (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone is CCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C.
What is the InChIKey of (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone?
The InChIKey is XNZYJIGZEOJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3.
What are the key properties of (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone?
(4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone has a molecular weight of 325.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)-(2-methyl-3-propylquinolin-6-yl)methanone is sourced from PubChem (CID 11232604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).