ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate

C22H24N4O3 — CID 96517692

IUPACethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C
InChIInChI=1S/C22H24N4O3/c1-4-29-22(28)19-14(2)20(24-15(19)3)21(27)25-13-17(26-11-7-10-23-26)12-16-8-5-6-9-18(16)25/h5-11,17,24H,4,12-13H2,1-3H3/t17-/m1/s1
InChIKeyRISHZUZEFPOPLW-QGZVFWFLSA-N
MW392.46 g/mol
LogP3.45
Rot. Bonds4

About ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate (PubChem CID 96517692) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
PubChem CID96517692
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C
InChIInChI=1S/C22H24N4O3/c1-4-29-22(28)19-14(2)20(24-15(19)3)21(27)25-13-17(26-11-7-10-23-26)12-16-8-5-6-9-18(16)25/h5-11,17,24H,4,12-13H2,1-3H3/t17-/m1/s1
InChIKeyRISHZUZEFPOPLW-QGZVFWFLSA-N
XLogP3.45
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
CID 95898776
ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
CID 43953848
1-[1-methyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]pyrrol-3-yl]ethanone
CID 124607429
ethyl 2,4-dimethyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 55661138
(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(thiolan-2-yl)methanone
CID 71925994
ethyl 2,4-dimethyl-5-(3-pyrazol-1-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 37393923
ethyl 5-[3-(dimethylamino)azetidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 71905912
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-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55766227
ethyl 2,4-dimethyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 134051396
ethyl 5-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 112789783
ethyl 2,4-dimethyl-5-(2-propan-2-yliminopyridine-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 51112089

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate (CID 96517692) is ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate?
The InChIKey is RISHZUZEFPOPLW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-29-22(28)19-14(2)20(24-15(19)3)21(27)25-13-17(26-11-7-10-23-26)12-16-8-5-6-9-18(16)25/h5-11,17,24H,4,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 96517692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).