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

C16H19NO3 — CID 945408

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate
SMILESCc1ccc2cc(COC(=O)CC(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C16H19NO3/c1-10(2)6-15(18)20-9-13-8-12-5-4-11(3)7-14(12)17-16(13)19/h4-5,7-8,10H,6,9H2,1-3H3,(H,17,19)
InChIKeyLBTBNSUJQWOEEO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds4

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

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate (PubChem CID 945408) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate
PubChem CID945408
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate
SMILESCc1ccc2cc(COC(=O)CC(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C16H19NO3/c1-10(2)6-15(18)20-9-13-8-12-5-4-11(3)7-14(12)17-16(13)19/h4-5,7-8,10H,6,9H2,1-3H3,(H,17,19)
InChIKeyLBTBNSUJQWOEEO-UHFFFAOYSA-N
XLogP2.93
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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
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
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
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

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate (CID 945408) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate is Cc1ccc2cc(COC(=O)CC(C)C)c(=O)[nH]c2c1.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate?
The InChIKey is LBTBNSUJQWOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)6-15(18)20-9-13-8-12-5-4-11(3)7-14(12)17-16(13)19/h4-5,7-8,10H,6,9H2,1-3H3,(H,17,19).
What are the key properties of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate?
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate has a molecular weight of 273.33 g/mol, XLogP of 2.93, 4 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 3-methylbutanoate is sourced from PubChem (CID 945408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).