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

C18H21NO3 — CID 1399519

IUPAC(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)10-15(17(20)19-16)11-22-18(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyKFYFMBXDVWVCBB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds3

About (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (PubChem CID 1399519) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
PubChem CID1399519
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)10-15(17(20)19-16)11-22-18(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyKFYFMBXDVWVCBB-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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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate (CID 1399519) is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is Cc1ccc2[nH]c(=O)c(COC(=O)C3CCCCC3)cc2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
The InChIKey is KFYFMBXDVWVCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)10-15(17(20)19-16)11-22-18(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20).
What are the key properties of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate?
(6-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 (6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 1399519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).