2-(azepan-1-yl)-7-methoxy-4-methylquinoline

C17H22N2O — CID 692276

IUPAC2-(azepan-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(N3CCCCCC3)nc2c1
InChIInChI=1S/C17H22N2O/c1-13-11-17(19-9-5-3-4-6-10-19)18-16-12-14(20-2)7-8-15(13)16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyIEOBQTYHOHTUKL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds2

About 2-(azepan-1-yl)-7-methoxy-4-methylquinoline

2-(azepan-1-yl)-7-methoxy-4-methylquinoline (PubChem CID 692276) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(azepan-1-yl)-7-methoxy-4-methylquinoline
PubChem CID692276
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(azepan-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(N3CCCCCC3)nc2c1
InChIInChI=1S/C17H22N2O/c1-13-11-17(19-9-5-3-4-6-10-19)18-16-12-14(20-2)7-8-15(13)16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyIEOBQTYHOHTUKL-UHFFFAOYSA-N
XLogP3.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-7-methoxy-4-methylquinoline?
The IUPAC name of 2-(azepan-1-yl)-7-methoxy-4-methylquinoline (CID 692276) is 2-(azepan-1-yl)-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-(azepan-1-yl)-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-(azepan-1-yl)-7-methoxy-4-methylquinoline is COc1ccc2c(C)cc(N3CCCCCC3)nc2c1.
What is the InChIKey of 2-(azepan-1-yl)-7-methoxy-4-methylquinoline?
The InChIKey is IEOBQTYHOHTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-11-17(19-9-5-3-4-6-10-19)18-16-12-14(20-2)7-8-15(13)16/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-7-methoxy-4-methylquinoline?
2-(azepan-1-yl)-7-methoxy-4-methylquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-7-methoxy-4-methylquinoline is sourced from PubChem (CID 692276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).