10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one

C18H24N2O2 — CID 512467

IUPAC10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one
SMILESCOc1ccc2c(c1)C1=C(CC2)C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-9-8-19-18(21)15-7-5-13-4-6-14(22-3)10-16(13)17(15)20/h4,6,10,12H,5,7-9,11H2,1-3H3,(H,19,21)
InChIKeyVRUPMXRJKMTLEZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.44
Rot. Bonds3

About 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one

10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one (PubChem CID 512467) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one.

Molecular Properties

Compound Name10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one
PubChem CID512467
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one
SMILESCOc1ccc2c(c1)C1=C(CC2)C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-9-8-19-18(21)15-7-5-13-4-6-14(22-3)10-16(13)17(15)20/h4,6,10,12H,5,7-9,11H2,1-3H3,(H,19,21)
InChIKeyVRUPMXRJKMTLEZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
1-(8-methoxy-4,5-dihydrobenzo[g]indol-1-yl)propan-2-amine
CID 19036433
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 22904998
5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 44550512
7-methoxy-3,4-dihydro-2H-isoquinolin-1-one;methyl N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 158702967
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136
7-butoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 145310441
3-[[5-methoxy-2-(4-methylpiperazin-1-yl)phenyl]methylidene]pyrrolidin-2-one
CID 69092048
8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
CID 79237010
1'-[1-(4-fluorophenyl)propan-2-yl]-8-methoxyspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235983

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one?
The IUPAC name of 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one (CID 512467) is 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one.
What is the SMILES notation for 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one?
The canonical SMILES for 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one is COc1ccc2c(c1)C1=C(CC2)C(=O)NCCN1CC(C)C.
What is the InChIKey of 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one?
The InChIKey is VRUPMXRJKMTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-20-9-8-19-18(21)15-7-5-13-4-6-14(22-3)10-16(13)17(15)20/h4,6,10,12H,5,7-9,11H2,1-3H3,(H,19,21).
What are the key properties of 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one?
10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one has a molecular weight of 300.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1-(2-methylpropyl)-3,4,6,7-tetrahydro-2H-benzo[i][1,4]benzodiazepin-5-one is sourced from PubChem (CID 512467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).