methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate

C19H24N2O4 — CID 136560807

IUPACmethyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)CCCN2C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H24N2O4/c1-13-11-15(19(24)25-2)12-14-5-3-9-21(18(13)14)17(23)7-10-20-8-4-6-16(20)22/h11-12H,3-10H2,1-2H3
InChIKeyXTGHJGHIAXOXTQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.07
Rot. Bonds4

About methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate

methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 136560807) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID136560807
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)CCCN2C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H24N2O4/c1-13-11-15(19(24)25-2)12-14-5-3-9-21(18(13)14)17(23)7-10-20-8-4-6-16(20)22/h11-12H,3-10H2,1-2H3
InChIKeyXTGHJGHIAXOXTQ-UHFFFAOYSA-N
XLogP2.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
methyl 1-(3-ethoxy-1,2-oxazole-5-carbonyl)-8-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 138028882
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
dimethyl 4,6-dimethyl-3-(2-oxopyrrolidin-1-yl)benzene-1,2-dicarboxylate
CID 56599713
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86933947
(4-cyano-2,6-dimethylphenyl) 3-(2-oxopyrrolidin-1-yl)propanoate
CID 71999017
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
methyl 4-(7-methyl-2,3-dihydro-1H-inden-5-yl)benzoate;methyl 4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)benzoate;propanoyl chloride
CID 167574951
1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 117209640
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
methyl 3-bromo-4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 102765978

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate (CID 136560807) is methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate is COC(=O)c1cc(C)c2c(c1)CCCN2C(=O)CCN1CCCC1=O.
What is the InChIKey of methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is XTGHJGHIAXOXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-11-15(19(24)25-2)12-14-5-3-9-21(18(13)14)17(23)7-10-20-8-4-6-16(20)22/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 136560807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).