methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate

C19H20N2O4 — CID 30093667

IUPACmethyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)N2c3ccccc3CC[C@H]2C)c1
InChIInChI=1S/C19H20N2O4/c1-13-7-8-14-5-3-4-6-16(14)21(13)18(23)12-20-11-15(19(24)25-2)9-10-17(20)22/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m1/s1
InChIKeyTXGPEASVGRXCKZ-CYBMUJFWSA-N
MW340.38 g/mol
LogP2.00
Rot. Bonds3

About methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 30093667) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID30093667
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)N2c3ccccc3CC[C@H]2C)c1
InChIInChI=1S/C19H20N2O4/c1-13-7-8-14-5-3-4-6-16(14)21(13)18(23)12-20-11-15(19(24)25-2)9-10-17(20)22/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m1/s1
InChIKeyTXGPEASVGRXCKZ-CYBMUJFWSA-N
XLogP2.00
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 99831437
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 42885478
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55481253
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128969912
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
CID 46670667
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505336
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55481488

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 30093667) is methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)N2c3ccccc3CC[C@H]2C)c1.
What is the InChIKey of methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is TXGPEASVGRXCKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-8-14-5-3-4-6-16(14)21(13)18(23)12-20-11-15(19(24)25-2)9-10-17(20)22/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 30093667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).