2-quinolin-3-yloxypropanenitrile

C12H10N2O — CID 107388161

IUPAC2-quinolin-3-yloxypropanenitrile
SMILESCC(C#N)Oc1cnc2ccccc2c1
InChIInChI=1S/C12H10N2O/c1-9(7-13)15-11-6-10-4-2-3-5-12(10)14-8-11/h2-6,8-9H,1H3
InChIKeyRWFDYKQQKMLHER-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.53
Rot. Bonds2

About 2-quinolin-3-yloxypropanenitrile

2-quinolin-3-yloxypropanenitrile (PubChem CID 107388161) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-quinolin-3-yloxypropanenitrile.

Molecular Properties

Compound Name2-quinolin-3-yloxypropanenitrile
PubChem CID107388161
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-quinolin-3-yloxypropanenitrile
SMILESCC(C#N)Oc1cnc2ccccc2c1
InChIInChI=1S/C12H10N2O/c1-9(7-13)15-11-6-10-4-2-3-5-12(10)14-8-11/h2-6,8-9H,1H3
InChIKeyRWFDYKQQKMLHER-UHFFFAOYSA-N
XLogP2.53
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
3-(2,3-dimethylbutan-2-yloxy)quinoline
CID 142318662
2-quinolin-3-yloxybutan-1-amine
CID 107386996
N-methyl-4-quinolin-3-yloxypentan-1-amine
CID 107387882
N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
3-methylsulfanyloxyquinoline
CID 174462861
N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
CID 107387767
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-quinolin-3-yloxyethanol
CID 102847036
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yloxypropanenitrile?
The IUPAC name of 2-quinolin-3-yloxypropanenitrile (CID 107388161) is 2-quinolin-3-yloxypropanenitrile.
What is the SMILES notation for 2-quinolin-3-yloxypropanenitrile?
The canonical SMILES for 2-quinolin-3-yloxypropanenitrile is CC(C#N)Oc1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-yloxypropanenitrile?
The InChIKey is RWFDYKQQKMLHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9(7-13)15-11-6-10-4-2-3-5-12(10)14-8-11/h2-6,8-9H,1H3.
What are the key properties of 2-quinolin-3-yloxypropanenitrile?
2-quinolin-3-yloxypropanenitrile has a molecular weight of 198.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yloxypropanenitrile is sourced from PubChem (CID 107388161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).