6-(1,4-diazepan-1-yl)quinoline

C14H17N3 — CID 62635992

IUPAC6-(1,4-diazepan-1-yl)quinoline
SMILESc1cnc2ccc(N3CCCNCC3)cc2c1
InChIInChI=1S/C14H17N3/c1-3-12-11-13(4-5-14(12)16-7-1)17-9-2-6-15-8-10-17/h1,3-5,7,11,15H,2,6,8-10H2
InChIKeyVWQVCBBHJYAMQD-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.03
Rot. Bonds1

About 6-(1,4-diazepan-1-yl)quinoline

6-(1,4-diazepan-1-yl)quinoline (PubChem CID 62635992) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)quinoline
PubChem CID62635992
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-(1,4-diazepan-1-yl)quinoline
SMILESc1cnc2ccc(N3CCCNCC3)cc2c1
InChIInChI=1S/C14H17N3/c1-3-12-11-13(4-5-14(12)16-7-1)17-9-2-6-15-8-10-17/h1,3-5,7,11,15H,2,6,8-10H2
InChIKeyVWQVCBBHJYAMQD-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)quinoline?
The IUPAC name of 6-(1,4-diazepan-1-yl)quinoline (CID 62635992) is 6-(1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 6-(1,4-diazepan-1-yl)quinoline is c1cnc2ccc(N3CCCNCC3)cc2c1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)quinoline?
The InChIKey is VWQVCBBHJYAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12-11-13(4-5-14(12)16-7-1)17-9-2-6-15-8-10-17/h1,3-5,7,11,15H,2,6,8-10H2.
What are the key properties of 6-(1,4-diazepan-1-yl)quinoline?
6-(1,4-diazepan-1-yl)quinoline has a molecular weight of 227.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 62635992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).