6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one

C16H21ClN2O2 — CID 65021981

IUPAC6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
SMILESCOc1ccc(C2C(N)CCCC(=O)N2C2CC2)cc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-21-14-8-5-10(9-12(14)17)16-13(18)3-2-4-15(20)19(16)11-6-7-11/h5,8-9,11,13,16H,2-4,6-7,18H2,1H3
InChIKeyZNKKAFJUXUIHST-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.89
Rot. Bonds3

About 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one

6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one (PubChem CID 65021981) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
PubChem CID65021981
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
SMILESCOc1ccc(C2C(N)CCCC(=O)N2C2CC2)cc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-21-14-8-5-10(9-12(14)17)16-13(18)3-2-4-15(20)19(16)11-6-7-11/h5,8-9,11,13,16H,2-4,6-7,18H2,1H3
InChIKeyZNKKAFJUXUIHST-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one?
The IUPAC name of 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one (CID 65021981) is 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one.
What is the SMILES notation for 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one?
The canonical SMILES for 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one is COc1ccc(C2C(N)CCCC(=O)N2C2CC2)cc1Cl.
What is the InChIKey of 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one?
The InChIKey is ZNKKAFJUXUIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-14-8-5-10(9-12(14)17)16-13(18)3-2-4-15(20)19(16)11-6-7-11/h5,8-9,11,13,16H,2-4,6-7,18H2,1H3.
What are the key properties of 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one?
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one is sourced from PubChem (CID 65021981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).