ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate

C20H24N4O3 — CID 50958965

IUPACethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyDETGZHVNSJHVAT-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.97
Rot. Bonds4

About ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate

ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate (PubChem CID 50958965) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
PubChem CID50958965
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyDETGZHVNSJHVAT-UHFFFAOYSA-N
XLogP2.97
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate (CID 50958965) is ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C.
What is the InChIKey of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is DETGZHVNSJHVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 50958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).