propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate

C14H15NO3 — CID 1154352

IUPACpropan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc2[nH]c(=O)cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C14H15NO3/c1-8(2)18-14(17)11-7-13(16)15-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3,(H,15,16)
InChIKeyDHIQZSISNAEKKJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.40
Rot. Bonds2

About propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate

propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 1154352) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
PubChem CID1154352
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namepropan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc2[nH]c(=O)cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C14H15NO3/c1-8(2)18-14(17)11-7-13(16)15-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3,(H,15,16)
InChIKeyDHIQZSISNAEKKJ-UHFFFAOYSA-N
XLogP2.40
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxyquinoline-4-carboxylic acid
CID 85076
4-Ethoxycarbonyl-2-quinolone
CID 160782
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
(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
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate (CID 1154352) is propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate is Cc1ccc2[nH]c(=O)cc(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is DHIQZSISNAEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(2)18-14(17)11-7-13(16)15-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3,(H,15,16).
What are the key properties of propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 1154352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).