4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one

C24H30N4O2 — CID 162722819

IUPAC4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESCc1ccc2c(c1)NC(=O)C1(CCCC1)N2.Cc1ccc2c(c1)NC(=O)CN(C)C2
InChIInChI=1S/C13H16N2O.C11H14N2O/c1-9-4-5-10-11(8-9)14-12(16)13(15-10)6-2-3-7-13;1-8-3-4-9-6-13(2)7-11(14)12-10(9)5-8/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16);3-5H,6-7H2,1-2H3,(H,12,14)
InChIKeyHWINGMPZKQETOH-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.05
Rot. Bonds

About 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one

4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 162722819) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
PubChem CID162722819
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESCc1ccc2c(c1)NC(=O)C1(CCCC1)N2.Cc1ccc2c(c1)NC(=O)CN(C)C2
InChIInChI=1S/C13H16N2O.C11H14N2O/c1-9-4-5-10-11(8-9)14-12(16)13(15-10)6-2-3-7-13;1-8-3-4-9-6-13(2)7-11(14)12-10(9)5-8/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16);3-5H,6-7H2,1-2H3,(H,12,14)
InChIKeyHWINGMPZKQETOH-UHFFFAOYSA-N
XLogP4.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (CID 162722819) is 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is Cc1ccc2c(c1)NC(=O)C1(CCCC1)N2.Cc1ccc2c(c1)NC(=O)CN(C)C2.
What is the InChIKey of 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is HWINGMPZKQETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C11H14N2O/c1-9-4-5-10-11(8-9)14-12(16)13(15-10)6-2-3-7-13;1-8-3-4-9-6-13(2)7-11(14)12-10(9)5-8/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16);3-5H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 406.53 g/mol, XLogP of 4.05, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one;7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 162722819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).