(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide

C22H21N3O3 — CID 32838691

IUPAC(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O
InChIInChI=1S/C22H21N3O3/c1-2-28-20-10-6-5-9-19(20)25-14-16(12-21(25)26)22(27)24-17-11-15-7-3-4-8-18(15)23-13-17/h3-11,13,16H,2,12,14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyYCXRNEAMZILCTP-INIZCTEOSA-N
MW375.43 g/mol
LogP3.63
Rot. Bonds5

About (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide

(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide (PubChem CID 32838691) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
PubChem CID32838691
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O
InChIInChI=1S/C22H21N3O3/c1-2-28-20-10-6-5-9-19(20)25-14-16(12-21(25)26)22(27)24-17-11-15-7-3-4-8-18(15)23-13-17/h3-11,13,16H,2,12,14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyYCXRNEAMZILCTP-INIZCTEOSA-N
XLogP3.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 55517242
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51334513
1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 55635306
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide (CID 32838691) is (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is YCXRNEAMZILCTP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-28-20-10-6-5-9-19(20)25-14-16(12-21(25)26)22(27)24-17-11-15-7-3-4-8-18(15)23-13-17/h3-11,13,16H,2,12,14H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 32838691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).