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

C16H19NO3 — CID 663763

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCc1cccc2cc(COC(=O)C(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C16H19NO3/c1-10-6-5-7-11-8-12(14(18)17-13(10)11)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyVESWMIYNXGHAMY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds2

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

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 663763) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID663763
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCc1cccc2cc(COC(=O)C(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C16H19NO3/c1-10-6-5-7-11-8-12(14(18)17-13(10)11)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyVESWMIYNXGHAMY-UHFFFAOYSA-N
XLogP2.93
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate with MolForge

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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 2,2-dimethylpropanoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate (CID 663763) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate is Cc1cccc2cc(COC(=O)C(C)(C)C)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is VESWMIYNXGHAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-6-5-7-11-8-12(14(18)17-13(10)11)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 273.33 g/mol, XLogP of 2.93, 2 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 2,2-dimethylpropanoate is sourced from PubChem (CID 663763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).