methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

C19H22N2O3 — CID 51175289

IUPACmethyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N2CCCc3ccccc32)c(C)c1C(=O)OC
InChIInChI=1S/C19H22N2O3/c1-4-14-16(19(23)24-3)12(2)17(20-14)18(22)21-11-7-9-13-8-5-6-10-15(13)21/h5-6,8,10,20H,4,7,9,11H2,1-3H3
InChIKeyVZUASRKNPZSQQM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.27
Rot. Bonds3

About methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 51175289) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID51175289
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N2CCCc3ccccc32)c(C)c1C(=O)OC
InChIInChI=1S/C19H22N2O3/c1-4-14-16(19(23)24-3)12(2)17(20-14)18(22)21-11-7-9-13-8-5-6-10-15(13)21/h5-6,8,10,20H,4,7,9,11H2,1-3H3
InChIKeyVZUASRKNPZSQQM-UHFFFAOYSA-N
XLogP3.27
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-O-methyl 2-O-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 55357631
methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 26958553
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
methyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 46414423
4-O-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 3347334
ethyl 2,4-dimethyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 55661138
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 71891299
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CID 51175289) is methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)N2CCCc3ccccc32)c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is VZUASRKNPZSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-14-16(19(23)24-3)12(2)17(20-14)18(22)21-11-7-9-13-8-5-6-10-15(13)21/h5-6,8,10,20H,4,7,9,11H2,1-3H3.
What are the key properties of methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51175289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).