6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

C13H18N2O2 — CID 113393211

IUPAC6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCOc1cccc2c1NC(=O)CCN2C(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)15-8-7-12(16)14-13-10(15)5-4-6-11(13)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,16)
InChIKeyQWHFXXMICHKQRV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds2

About 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one (PubChem CID 113393211) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
PubChem CID113393211
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCOc1cccc2c1NC(=O)CCN2C(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)15-8-7-12(16)14-13-10(15)5-4-6-11(13)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,16)
InChIKeyQWHFXXMICHKQRV-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-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

8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004
6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413
8-methoxy-4-methyl-2-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623745
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79777955
8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115098056
6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58575678
4-methoxy-10-methyl-5H-phenazine
CID 18427227
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883939
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The IUPAC name of 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one (CID 113393211) is 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The canonical SMILES for 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one is COc1cccc2c1NC(=O)CCN2C(C)C.
What is the InChIKey of 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The InChIKey is QWHFXXMICHKQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)15-8-7-12(16)14-13-10(15)5-4-6-11(13)17-3/h4-6,9H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one has a molecular weight of 234.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 113393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).