6-pyrrolidin-1-ylquinoline-3-carbonitrile

C14H13N3 — CID 105480696

IUPAC6-pyrrolidin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(N3CCCC3)cc2c1
InChIInChI=1S/C14H13N3/c15-9-11-7-12-8-13(17-5-1-2-6-17)3-4-14(12)16-10-11/h3-4,7-8,10H,1-2,5-6H2
InChIKeyKUMYNQRFEDWFMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.71
Rot. Bonds1

About 6-pyrrolidin-1-ylquinoline-3-carbonitrile

6-pyrrolidin-1-ylquinoline-3-carbonitrile (PubChem CID 105480696) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-pyrrolidin-1-ylquinoline-3-carbonitrile
PubChem CID105480696
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name6-pyrrolidin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(N3CCCC3)cc2c1
InChIInChI=1S/C14H13N3/c15-9-11-7-12-8-13(17-5-1-2-6-17)3-4-14(12)16-10-11/h3-4,7-8,10H,1-2,5-6H2
InChIKeyKUMYNQRFEDWFMD-UHFFFAOYSA-N
XLogP2.71
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylquinoline-3-carbonitrile?
The IUPAC name of 6-pyrrolidin-1-ylquinoline-3-carbonitrile (CID 105480696) is 6-pyrrolidin-1-ylquinoline-3-carbonitrile.
What is the SMILES notation for 6-pyrrolidin-1-ylquinoline-3-carbonitrile?
The canonical SMILES for 6-pyrrolidin-1-ylquinoline-3-carbonitrile is N#Cc1cnc2ccc(N3CCCC3)cc2c1.
What is the InChIKey of 6-pyrrolidin-1-ylquinoline-3-carbonitrile?
The InChIKey is KUMYNQRFEDWFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-9-11-7-12-8-13(17-5-1-2-6-17)3-4-14(12)16-10-11/h3-4,7-8,10H,1-2,5-6H2.
What are the key properties of 6-pyrrolidin-1-ylquinoline-3-carbonitrile?
6-pyrrolidin-1-ylquinoline-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylquinoline-3-carbonitrile is sourced from PubChem (CID 105480696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).