8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride

C24H21Cl3N4O3 — CID 160864509

IUPAC8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
SMILESCl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1Cl)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C24H20Cl2N4O3.ClH/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13;/h1-2,9-13H,3-8H2,(H,28,31);1H
InChIKeyWOXAUWQHQZNTBL-UHFFFAOYSA-N
MW519.82 g/mol
LogP5.00
Rot. Bonds2

About 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride

8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride (PubChem CID 160864509) has the molecular formula C24H21Cl3N4O3 and a molecular weight of 519.82 g/mol. Its IUPAC name is 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride.

Molecular Properties

Compound Name8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
PubChem CID160864509
Molecular FormulaC24H21Cl3N4O3
Molecular Weight519.82 g/mol
Exact Mass518.07
IUPAC Name8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
SMILESCl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1Cl)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C24H20Cl2N4O3.ClH/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13;/h1-2,9-13H,3-8H2,(H,28,31);1H
InChIKeyWOXAUWQHQZNTBL-UHFFFAOYSA-N
XLogP5.00
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928918
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574988
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575017
7-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane
CID 161293984
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910070
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574967
7-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575324
7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575009
7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575542

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The IUPAC name of 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) is 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride.
What is the SMILES notation for 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The canonical SMILES for 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride is Cl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1Cl)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The InChIKey is WOXAUWQHQZNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3.ClH/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13;/h1-2,9-13H,3-8H2,(H,28,31);1H.
What are the key properties of 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride has a molecular weight of 519.82 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride is sourced from PubChem (CID 160864509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).