2-[4-(dimethylamino)quinolin-2-yl]acetonitrile

C13H13N3 — CID 82241601

IUPAC2-[4-(dimethylamino)quinolin-2-yl]acetonitrile
SMILESCN(C)c1cc(CC#N)nc2ccccc12
InChIInChI=1S/C13H13N3/c1-16(2)13-9-10(7-8-14)15-12-6-4-3-5-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyCWTPQCZTABQKCJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.37
Rot. Bonds2

About 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile

2-[4-(dimethylamino)quinolin-2-yl]acetonitrile (PubChem CID 82241601) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)quinolin-2-yl]acetonitrile
PubChem CID82241601
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[4-(dimethylamino)quinolin-2-yl]acetonitrile
SMILESCN(C)c1cc(CC#N)nc2ccccc12
InChIInChI=1S/C13H13N3/c1-16(2)13-9-10(7-8-14)15-12-6-4-3-5-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyCWTPQCZTABQKCJ-UHFFFAOYSA-N
XLogP2.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile?
The IUPAC name of 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile (CID 82241601) is 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile is CN(C)c1cc(CC#N)nc2ccccc12.
What is the InChIKey of 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile?
The InChIKey is CWTPQCZTABQKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16(2)13-9-10(7-8-14)15-12-6-4-3-5-11(12)13/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile?
2-[4-(dimethylamino)quinolin-2-yl]acetonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)quinolin-2-yl]acetonitrile is sourced from PubChem (CID 82241601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).