2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile

C14H11N3 — CID 63969362

IUPAC2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
SMILESC#CCNC(C#N)c1cccc2cccnc12
InChIInChI=1S/C14H11N3/c1-2-8-16-13(10-15)12-7-3-5-11-6-4-9-17-14(11)12/h1,3-7,9,13,16H,8H2
InChIKeyOEVVXBHRNSXPFS-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile

2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile (PubChem CID 63969362) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
PubChem CID63969362
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
SMILESC#CCNC(C#N)c1cccc2cccnc12
InChIInChI=1S/C14H11N3/c1-2-8-16-13(10-15)12-7-3-5-11-6-4-9-17-14(11)12/h1,3-7,9,13,16H,8H2
InChIKeyOEVVXBHRNSXPFS-UHFFFAOYSA-N
XLogP2.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
CID 63967901
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
2-chloro-2-quinolin-8-ylacetonitrile
CID 63968739
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
(2-methyl-1-quinolin-8-ylbutyl)hydrazine
CID 105219557
8-(dichloromethyl)quinoline
CID 19989328
N,2-dimethyl-3-quinolin-8-ylbutan-1-amine
CID 81222761
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile?
The IUPAC name of 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile (CID 63969362) is 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile.
What is the SMILES notation for 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile?
The canonical SMILES for 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile is C#CCNC(C#N)c1cccc2cccnc12.
What is the InChIKey of 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile?
The InChIKey is OEVVXBHRNSXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-8-16-13(10-15)12-7-3-5-11-6-4-9-17-14(11)12/h1,3-7,9,13,16H,8H2.
What are the key properties of 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile?
2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile is sourced from PubChem (CID 63969362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).