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

C15H17NO3 — CID 664123

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
SMILESCc1cccc2cc(COC(=O)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyBXXWUXJCMHFLAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds3

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

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate (PubChem CID 664123) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
PubChem CID664123
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
SMILESCc1cccc2cc(COC(=O)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyBXXWUXJCMHFLAP-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 ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
N-(2,6-Diisopropyl-phenyl)-2,2-dimethyl-malonamic acid ethyl ester
CID 10543647
methyl (Z)-2-cyano-3-(6-methyl-2-oxo-1H-quinolin-3-yl)prop-2-enoate
CID 864984
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 663849

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate (CID 664123) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate is Cc1cccc2cc(COC(=O)C(C)C)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
The InChIKey is BXXWUXJCMHFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(2)15(18)19-8-12-7-11-6-4-5-10(3)13(11)16-14(12)17/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate has a molecular weight of 259.31 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 (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 664123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).