5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide

C23H23N3O3 — CID 113190599

IUPAC5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-20-11-4-3-9-18(20)25-23(28)17-13-21(27)26(14-17)19-10-5-7-16-8-6-12-24-22(16)19/h3-12,15,17H,13-14H2,1-2H3,(H,25,28)
InChIKeyOFAGXBHAXVHPCG-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.01
Rot. Bonds5

About 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide

5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113190599) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113190599
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-20-11-4-3-9-18(20)25-23(28)17-13-21(27)26(14-17)19-10-5-7-16-8-6-12-24-22(16)19/h3-12,15,17H,13-14H2,1-2H3,(H,25,28)
InChIKeyOFAGXBHAXVHPCG-UHFFFAOYSA-N
XLogP4.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113189061
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113190599) is 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CC(=O)N(c2cccc3cccnc23)C1.
What is the InChIKey of 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is OFAGXBHAXVHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)29-20-11-4-3-9-18(20)25-23(28)17-13-21(27)26(14-17)19-10-5-7-16-8-6-12-24-22(16)19/h3-12,15,17H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide?
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).