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

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Related Compounds

6-amino-7-(4-bromo-3-methylphenyl)-1-cyclopropylazepan-2-one
CID 66480106
4-amino-1-tert-butyl-5-(3-chloro-4-methoxyphenyl)pyrrolidin-2-one
CID 65021842
5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one
CID 138388845
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
2-(3-chloro-4-methoxyphenyl)oxan-3-amine
CID 79365514
4-amino-5-(5-chloro-2-methoxyphenyl)-1-cyclopentylpyrrolidin-2-one
CID 82193162
(4S,9aS)-4-(3,4-dimethoxyphenyl)-3,4,7,8,9,9a-hexahydro-1H-quinolizine-2,6-dione
CID 15839373
6-amino-7-(3-chloro-4-methylphenyl)-1-(2-methylpropyl)azepan-2-one
CID 106818668
1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
CID 65021410
5-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79521731
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322

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).