2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline

C19H25N3 — CID 71192818

IUPAC2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
SMILESc1ccc2nc(N3CCCC(N4CCCC4)CC3)ccc2c1
InChIInChI=1S/C19H25N3/c1-2-8-18-16(6-1)9-10-19(20-18)22-14-5-7-17(11-15-22)21-12-3-4-13-21/h1-2,6,8-10,17H,3-5,7,11-15H2
InChIKeyCEZIXIQXTIPYLV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline

2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline (PubChem CID 71192818) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
PubChem CID71192818
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
SMILESc1ccc2nc(N3CCCC(N4CCCC4)CC3)ccc2c1
InChIInChI=1S/C19H25N3/c1-2-8-18-16(6-1)9-10-19(20-18)22-14-5-7-17(11-15-22)21-12-3-4-13-21/h1-2,6,8-10,17H,3-5,7,11-15H2
InChIKeyCEZIXIQXTIPYLV-UHFFFAOYSA-N
XLogP3.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline?
The IUPAC name of 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline (CID 71192818) is 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline?
The canonical SMILES for 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline is c1ccc2nc(N3CCCC(N4CCCC4)CC3)ccc2c1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline?
The InChIKey is CEZIXIQXTIPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-8-18-16(6-1)9-10-19(20-18)22-14-5-7-17(11-15-22)21-12-3-4-13-21/h1-2,6,8-10,17H,3-5,7,11-15H2.
What are the key properties of 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline?
2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline has a molecular weight of 295.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline is sourced from PubChem (CID 71192818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).