N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide

C19H15ClN4O2 — CID 17452256

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H15ClN4O2/c20-13-10-12(7-8-17(13)24-9-3-6-18(24)25)22-19(26)16-11-21-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,26)
InChIKeyLJEPJZSMQDRITM-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.66
Rot. Bonds3

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide (PubChem CID 17452256) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
PubChem CID17452256
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H15ClN4O2/c20-13-10-12(7-8-17(13)24-9-3-6-18(24)25)22-19(26)16-11-21-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,26)
InChIKeyLJEPJZSMQDRITM-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737
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CID 24625383
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 46531626
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46532816
5-bromo-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-hydroxybenzamide
CID 25495530
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
N-[4-(8a-methyl-8-oxo-3-sulfanylidene-1,5,6,7-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123454052
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603747
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46535969
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide (CID 17452256) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is LJEPJZSMQDRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-13-10-12(7-8-17(13)24-9-3-6-18(24)25)22-19(26)16-11-21-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,26).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 17452256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).