(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate

C15H17NO3 — CID 943392

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
SMILESCc1ccc2cc(COC(=O)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-5-4-10(3)6-13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyASHSUANYCIECJF-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.54
Rot. Bonds3

About (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate (PubChem CID 943392) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
PubChem CID943392
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
SMILESCc1ccc2cc(COC(=O)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-5-4-10(3)6-13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyASHSUANYCIECJF-UHFFFAOYSA-N
XLogP2.54
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
[2-(2,5-Dimethylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2369102
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
CID 646662
CID 646662
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Methyl4-oxo-4-[3-(trifluoromethyl)anilino]-2-butenoate
CID 851916
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate (CID 943392) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate is Cc1ccc2cc(COC(=O)C(C)C)c(=O)[nH]c2c1.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The InChIKey is ASHSUANYCIECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-5-4-10(3)6-13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate has a molecular weight of 259.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 943392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).