1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one

C42H50N6O7 — CID 159727194

IUPAC1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one
SMILESCc1ccc2ncc(=O)n(CCC3(O)CCC(=O)CC3)c2c1.Cc1ccc2ncc(=O)n(CCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C25H30N4O4.C17H20N2O3/c1-17-2-3-20-21(12-17)29(24(30)16-28-20)9-8-25(31)6-4-18(5-7-25)26-14-19-13-22-23(15-27-19)33-11-10-32-22;1-12-2-3-14-15(10-12)19(16(21)11-18-14)9-8-17(22)6-4-13(20)5-7-17/h2-3,12-13,15-16,18,26,31H,4-11,14H2,1H3;2-3,10-11,22H,4-9H2,1H3
InChIKeyNAUAFGWICMQTHN-UHFFFAOYSA-N
MW750.90 g/mol
LogP4.69
Rot. Bonds9

About 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one (PubChem CID 159727194) has the molecular formula C42H50N6O7 and a molecular weight of 750.90 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one
PubChem CID159727194
Molecular FormulaC42H50N6O7
Molecular Weight750.90 g/mol
Exact Mass750.37
IUPAC Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one
SMILESCc1ccc2ncc(=O)n(CCC3(O)CCC(=O)CC3)c2c1.Cc1ccc2ncc(=O)n(CCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C25H30N4O4.C17H20N2O3/c1-17-2-3-20-21(12-17)29(24(30)16-28-20)9-8-25(31)6-4-18(5-7-25)26-14-19-13-22-23(15-27-19)33-11-10-32-22;1-12-2-3-14-15(10-12)19(16(21)11-18-14)9-8-17(22)6-4-13(20)5-7-17/h2-3,12-13,15-16,18,26,31H,4-11,14H2,1H3;2-3,10-11,22H,4-9H2,1H3
InChIKeyNAUAFGWICMQTHN-UHFFFAOYSA-N
XLogP4.69
TPSA170.69 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one with MolForge

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Related Compounds

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-isocyanoquinoxalin-2-one
CID 59397978
1-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 25030977
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,6-naphthyridin-2-one
CID 56834578
1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one
CID 143586130
1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 146503177
7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one
CID 56834576
6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
CID 159628286
(2R)-2-[[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 59351838
1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(propyl)amino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 70660325
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
CID 24864198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one (CID 159727194) is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one is Cc1ccc2ncc(=O)n(CCC3(O)CCC(=O)CC3)c2c1.Cc1ccc2ncc(=O)n(CCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one?
The InChIKey is NAUAFGWICMQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.C17H20N2O3/c1-17-2-3-20-21(12-17)29(24(30)16-28-20)9-8-25(31)6-4-18(5-7-25)26-14-19-13-22-23(15-27-19)33-11-10-32-22;1-12-2-3-14-15(10-12)19(16(21)11-18-14)9-8-17(22)6-4-13(20)5-7-17/h2-3,12-13,15-16,18,26,31H,4-11,14H2,1H3;2-3,10-11,22H,4-9H2,1H3.
What are the key properties of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one?
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one has a molecular weight of 750.90 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one is sourced from PubChem (CID 159727194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).