(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate

C18H21NO3 — CID 664889

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESCc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C18H21NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyGNZPEUPSOJIERT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (PubChem CID 664889) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
PubChem CID664889
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESCc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C18H21NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyGNZPEUPSOJIERT-UHFFFAOYSA-N
XLogP3.46
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
CID 663555
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate
CID 664367
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495
N-(2,6-Diisopropyl-phenyl)-2-phenyl-malonamic acid dodecyl ester
CID 10436278
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
Pentyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CID 660585
(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate
CID 663870

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (CID 664889) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is Cc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The InChIKey is GNZPEUPSOJIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 664889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).