1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

C20H16BrN3O2 — CID 46581777

IUPAC1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C20H16BrN3O2/c21-15-6-2-7-16(11-15)24-12-14(10-18(24)25)20(26)23-17-8-1-4-13-5-3-9-22-19(13)17/h1-9,11,14H,10,12H2,(H,23,26)
InChIKeyJBEQCUCDVJKGON-UHFFFAOYSA-N
MW410.27 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 46581777) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID46581777
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C20H16BrN3O2/c21-15-6-2-7-16(11-15)24-12-14(10-18(24)25)20(26)23-17-8-1-4-13-5-3-9-22-19(13)17/h1-9,11,14H,10,12H2,(H,23,26)
InChIKeyJBEQCUCDVJKGON-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 55661485
1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113192052
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122319738
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
1-(3-bromophenyl)-5-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 90556265
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 46581777) is 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is O=C(Nc1cccc2cccnc12)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is JBEQCUCDVJKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c21-15-6-2-7-16(11-15)24-12-14(10-18(24)25)20(26)23-17-8-1-4-13-5-3-9-22-19(13)17/h1-9,11,14H,10,12H2,(H,23,26).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 410.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46581777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).