2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane

C14H17ClN2O — CID 82667090

IUPAC2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane
SMILESCn1cc(C2CNCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2O/c1-17-9-11(13-8-16-6-3-7-18-13)10-4-2-5-12(15)14(10)17/h2,4-5,9,13,16H,3,6-8H2,1H3
InChIKeyVHFYHLVCPHVCFR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.88
Rot. Bonds1

About 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane

2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane (PubChem CID 82667090) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane
PubChem CID82667090
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane
SMILESCn1cc(C2CNCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2O/c1-17-9-11(13-8-16-6-3-7-18-13)10-4-2-5-12(15)14(10)17/h2,4-5,9,13,16H,3,6-8H2,1H3
InChIKeyVHFYHLVCPHVCFR-UHFFFAOYSA-N
XLogP2.88
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane 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

2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
2-(2-methylquinazolin-4-yl)-1,4-oxazepane
CID 82664516
2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073
2-(4-chloro-2-methyl-1H-indol-5-yl)morpholine
CID 117380167

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane?
The IUPAC name of 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane (CID 82667090) is 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane.
What is the SMILES notation for 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane?
The canonical SMILES for 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane is Cn1cc(C2CNCCCO2)c2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane?
The InChIKey is VHFYHLVCPHVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17-9-11(13-8-16-6-3-7-18-13)10-4-2-5-12(15)14(10)17/h2,4-5,9,13,16H,3,6-8H2,1H3.
What are the key properties of 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane?
2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane has a molecular weight of 264.76 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane is sourced from PubChem (CID 82667090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).