7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one

C13H15ClN2O2 — CID 30130

IUPAC7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one
SMILESCCOC1=NCC(=O)N(CC)c2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-3-16-11-6-5-9(14)7-10(11)13(18-4-2)15-8-12(16)17/h5-7H,3-4,8H2,1-2H3
InChIKeyPMQWXHSRTJFLEQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.49
Rot. Bonds2

About 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one

7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one (PubChem CID 30130) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one
PubChem CID30130
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one
SMILESCCOC1=NCC(=O)N(CC)c2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-3-16-11-6-5-9(14)7-10(11)13(18-4-2)15-8-12(16)17/h5-7H,3-4,8H2,1-2H3
InChIKeyPMQWXHSRTJFLEQ-UHFFFAOYSA-N
XLogP2.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-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

3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
CID 30156
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-phenyl-
CID 30157
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-
CID 209797
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
CID 213817
2H-1,4-Benzodiazepin-2-one, 1,5-dihydro-7-chloro-5-methoxy-1-methyl-5-phenyl-
CID 3046727
7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
CID 44191
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-
CID 44192
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-(o-fluorophenoxy)-1-methyl-
CID 44193
3H-1,4-Benzodiazepin-2(1H)-one, 8-chloro-5-ethoxy-1-methyl-
CID 44194
3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-
CID 44196
5-(2-bromoethoxy)-7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
CID 12369436
7-chloro-5-(2,2-dichloroethoxy)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 12369437

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one (CID 30130) is 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one is CCOC1=NCC(=O)N(CC)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is PMQWXHSRTJFLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16-11-6-5-9(14)7-10(11)13(18-4-2)15-8-12(16)17/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one?
7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethoxy-1-ethyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 30130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).