phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone

C18H14N2O — CID 140991005

IUPACphenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
SMILESO=C(c1ccccc1)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C18H14N2O/c21-18(14-7-2-1-3-8-14)20-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20/h1-12H,13H2
InChIKeyWGKHQHCCWCJQRZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.64
Rot. Bonds1

About phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone

phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone (PubChem CID 140991005) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone.

Molecular Properties

Compound Namephenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
PubChem CID140991005
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Namephenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
SMILESO=C(c1ccccc1)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C18H14N2O/c21-18(14-7-2-1-3-8-14)20-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20/h1-12H,13H2
InChIKeyWGKHQHCCWCJQRZ-UHFFFAOYSA-N
XLogP3.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 56636360
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 20931627
(4-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
CID 22219706
N-(3-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295420
N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46378033
N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295429
(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
CID 68687834
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butane-1,4-dione
CID 46378036
2,5-dichloro-N-[4-(6,7-dihydropyrrolo[1,2-a][1,5]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 57071075
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(4-methylphenoxy)phenyl]methanone
CID 22405326
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone?
The IUPAC name of phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone (CID 140991005) is phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone.
What is the SMILES notation for phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone?
The canonical SMILES for phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone is O=C(c1ccccc1)N1Cc2cccn2-c2ccccc21.
What is the InChIKey of phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone?
The InChIKey is WGKHQHCCWCJQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(14-7-2-1-3-8-14)20-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20/h1-12H,13H2.
What are the key properties of phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone?
phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone is sourced from PubChem (CID 140991005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).