8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one

C22H20ClN5O2 — CID 68709047

IUPAC8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4cnc(-c5ccccc5)n4c3cc2Cl)CC1
InChIInChI=1S/C22H20ClN5O2/c1-26-7-9-27(10-8-26)22(30)15-11-17-18(12-16(15)23)28-19(21(29)25-17)13-24-20(28)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,25,29)
InChIKeySJWVGBRRPXUCAB-UHFFFAOYSA-N
MW421.89 g/mol
LogP2.88
Rot. Bonds2

About 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one

8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 68709047) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID68709047
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4cnc(-c5ccccc5)n4c3cc2Cl)CC1
InChIInChI=1S/C22H20ClN5O2/c1-26-7-9-27(10-8-26)22(30)15-11-17-18(12-16(15)23)28-19(21(29)25-17)13-24-20(28)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,25,29)
InChIKeySJWVGBRRPXUCAB-UHFFFAOYSA-N
XLogP2.88
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 68702977
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
7-(3,5-dimethylpyrazole-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 68705809
3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid
CID 68705358
1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198890
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 67133760
8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 163652053
(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 53016708
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 160864509

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one (CID 68709047) is 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one is CN1CCN(C(=O)c2cc3[nH]c(=O)c4cnc(-c5ccccc5)n4c3cc2Cl)CC1.
What is the InChIKey of 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is SJWVGBRRPXUCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-26-7-9-27(10-8-26)22(30)15-11-17-18(12-16(15)23)28-19(21(29)25-17)13-24-20(28)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,25,29).
What are the key properties of 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one?
8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 421.89 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 68709047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).