N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C18H13Cl2N3O — CID 20931627

IUPACN-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C18H13Cl2N3O/c19-12-7-8-14(20)15(10-12)21-18(24)23-11-13-4-3-9-22(13)16-5-1-2-6-17(16)23/h1-10H,11H2,(H,21,24)
InChIKeyYQPFFKWMVPOKMN-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.34
Rot. Bonds1

About N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 20931627) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
PubChem CID20931627
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC NameN-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C18H13Cl2N3O/c19-12-7-8-14(20)15(10-12)21-18(24)23-11-13-4-3-9-22(13)16-5-1-2-6-17(16)23/h1-10H,11H2,(H,21,24)
InChIKeyYQPFFKWMVPOKMN-UHFFFAOYSA-N
XLogP5.34
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295429
N-(3-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295420
phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
CID 140991005
2,5-dichloro-N-[4-(6,7-dihydropyrrolo[1,2-a][1,5]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 57071075
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butane-1,4-dione
CID 46378036
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
CID 138755485
N-(5-chloro-2-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521403
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967778
N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 171677286

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 20931627) is N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)N1Cc2cccn2-c2ccccc21.
What is the InChIKey of N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The InChIKey is YQPFFKWMVPOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-12-7-8-14(20)15(10-12)21-18(24)23-11-13-4-3-9-22(13)16-5-1-2-6-17(16)23/h1-10H,11H2,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 20931627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).