7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C27H27ClN4O3 — CID 46910747

IUPAC7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CC(C)(C)c3cc(Cl)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C27H27ClN4O3/c1-15-10-22-20(30-25(33)23-13-29-24(32(22)23)16-6-8-35-9-7-16)12-18(15)26(34)31-14-27(2,3)19-11-17(28)4-5-21(19)31/h4-5,10-13,16H,6-9,14H2,1-3H3,(H,30,33)
InChIKeyDTIKOSKFAMVNPN-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.97
Rot. Bonds2

About 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 46910747) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID46910747
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CC(C)(C)c3cc(Cl)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C27H27ClN4O3/c1-15-10-22-20(30-25(33)23-13-29-24(32(22)23)16-6-8-35-9-7-16)12-18(15)26(34)31-14-27(2,3)19-11-17(28)4-5-21(19)31/h4-5,10-13,16H,6-9,14H2,1-3H3,(H,30,33)
InChIKeyDTIKOSKFAMVNPN-UHFFFAOYSA-N
XLogP4.97
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 46910747) is 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CC(C)(C)c3cc(Cl)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is DTIKOSKFAMVNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-15-10-22-20(30-25(33)23-13-29-24(32(22)23)16-6-8-35-9-7-16)12-18(15)26(34)31-14-27(2,3)19-11-17(28)4-5-21(19)31/h4-5,10-13,16H,6-9,14H2,1-3H3,(H,30,33).
What are the key properties of 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 490.99 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 46910747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).