2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline

C18H24N2O2 — CID 871102

IUPAC2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline
SMILESCOc1cc(OC)c2nc(N3CCCCCC3)cc(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-10-17(20-8-6-4-5-7-9-20)19-18-15(13)11-14(21-2)12-16(18)22-3/h10-12H,4-9H2,1-3H3
InChIKeyHOHKEMSJVUKZAV-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.94
Rot. Bonds3

About 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline

2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline (PubChem CID 871102) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline
PubChem CID871102
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline
SMILESCOc1cc(OC)c2nc(N3CCCCCC3)cc(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-10-17(20-8-6-4-5-7-9-20)19-18-15(13)11-14(21-2)12-16(18)22-3/h10-12H,4-9H2,1-3H3
InChIKeyHOHKEMSJVUKZAV-UHFFFAOYSA-N
XLogP3.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline?
The IUPAC name of 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline (CID 871102) is 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline.
What is the SMILES notation for 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline?
The canonical SMILES for 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline is COc1cc(OC)c2nc(N3CCCCCC3)cc(C)c2c1.
What is the InChIKey of 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline?
The InChIKey is HOHKEMSJVUKZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-10-17(20-8-6-4-5-7-9-20)19-18-15(13)11-14(21-2)12-16(18)22-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline?
2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline has a molecular weight of 300.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6,8-dimethoxy-4-methylquinoline is sourced from PubChem (CID 871102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).