3-(7-methylquinolin-3-yl)propanenitrile

C13H12N2 — CID 129451684

IUPAC3-(7-methylquinolin-3-yl)propanenitrile
SMILESCc1ccc2cc(CCC#N)cnc2c1
InChIInChI=1S/C13H12N2/c1-10-4-5-12-8-11(3-2-6-14)9-15-13(12)7-10/h4-5,7-9H,2-3H2,1H3
InChIKeyNVXUAKVPOHYEDH-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.00
Rot. Bonds2

About 3-(7-methylquinolin-3-yl)propanenitrile

3-(7-methylquinolin-3-yl)propanenitrile (PubChem CID 129451684) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(7-methylquinolin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(7-methylquinolin-3-yl)propanenitrile
PubChem CID129451684
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-(7-methylquinolin-3-yl)propanenitrile
SMILESCc1ccc2cc(CCC#N)cnc2c1
InChIInChI=1S/C13H12N2/c1-10-4-5-12-8-11(3-2-6-14)9-15-13(12)7-10/h4-5,7-9H,2-3H2,1H3
InChIKeyNVXUAKVPOHYEDH-UHFFFAOYSA-N
XLogP3.00
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylquinolin-3-yl)propanenitrile?
The IUPAC name of 3-(7-methylquinolin-3-yl)propanenitrile (CID 129451684) is 3-(7-methylquinolin-3-yl)propanenitrile.
What is the SMILES notation for 3-(7-methylquinolin-3-yl)propanenitrile?
The canonical SMILES for 3-(7-methylquinolin-3-yl)propanenitrile is Cc1ccc2cc(CCC#N)cnc2c1.
What is the InChIKey of 3-(7-methylquinolin-3-yl)propanenitrile?
The InChIKey is NVXUAKVPOHYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-10-4-5-12-8-11(3-2-6-14)9-15-13(12)7-10/h4-5,7-9H,2-3H2,1H3.
What are the key properties of 3-(7-methylquinolin-3-yl)propanenitrile?
3-(7-methylquinolin-3-yl)propanenitrile has a molecular weight of 196.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylquinolin-3-yl)propanenitrile is sourced from PubChem (CID 129451684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).