methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

C15H19NO3 — CID 116927551

IUPACmethyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)C(C)(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-10-4-6-12-11(8-10)5-7-13(17)16-12/h4,6,8H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyUGTXKGOXICIHPD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds3

About methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (PubChem CID 116927551) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
PubChem CID116927551
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)C(C)(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-10-4-6-12-11(8-10)5-7-13(17)16-12/h4,6,8H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyUGTXKGOXICIHPD-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
N-(3-methoxypropyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768411
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115133448
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (CID 116927551) is methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is COC(=O)C(C)(C)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The InChIKey is UGTXKGOXICIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-10-4-6-12-11(8-10)5-7-13(17)16-12/h4,6,8H,5,7,9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is sourced from PubChem (CID 116927551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).