7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C27H28N4O4 — CID 58575017

IUPAC7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C
InChIInChI=1S/C27H28N4O4/c1-16-12-23-21(29-26(32)24-15-28-25(31(23)24)17-7-10-35-11-8-17)14-20(16)27(33)30-9-3-4-18-13-19(34-2)5-6-22(18)30/h5-6,12-15,17H,3-4,7-11H2,1-2H3,(H,29,32)
InChIKeySSEWPZSEDVVXCG-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.98
Rot. Bonds3

About 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575017) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575017
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C
InChIInChI=1S/C27H28N4O4/c1-16-12-23-21(29-26(32)24-15-28-25(31(23)24)17-7-10-35-11-8-17)14-20(16)27(33)30-9-3-4-18-13-19(34-2)5-6-22(18)30/h5-6,12-15,17H,3-4,7-11H2,1-2H3,(H,29,32)
InChIKeySSEWPZSEDVVXCG-UHFFFAOYSA-N
XLogP3.98
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COc1ccc2c(c1)CCCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C.
What is the InChIKey of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is SSEWPZSEDVVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-16-12-23-21(29-26(32)24-15-28-25(31(23)24)17-7-10-35-11-8-17)14-20(16)27(33)30-9-3-4-18-13-19(34-2)5-6-22(18)30/h5-6,12-15,17H,3-4,7-11H2,1-2H3,(H,29,32).
What are the key properties of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 472.55 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).