4-(2-methylquinolin-6-yl)but-3-ynenitrile

C14H10N2 — CID 170475554

IUPAC4-(2-methylquinolin-6-yl)but-3-ynenitrile
SMILESCc1ccc2cc(C#CCC#N)ccc2n1
InChIInChI=1S/C14H10N2/c1-11-5-7-13-10-12(4-2-3-9-15)6-8-14(13)16-11/h5-8,10H,3H2,1H3
InChIKeyDZJQXWGHNGWJFS-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.81
Rot. Bonds

About 4-(2-methylquinolin-6-yl)but-3-ynenitrile

4-(2-methylquinolin-6-yl)but-3-ynenitrile (PubChem CID 170475554) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-methylquinolin-6-yl)but-3-ynenitrile.

Molecular Properties

Compound Name4-(2-methylquinolin-6-yl)but-3-ynenitrile
PubChem CID170475554
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name4-(2-methylquinolin-6-yl)but-3-ynenitrile
SMILESCc1ccc2cc(C#CCC#N)ccc2n1
InChIInChI=1S/C14H10N2/c1-11-5-7-13-10-12(4-2-3-9-15)6-8-14(13)16-11/h5-8,10H,3H2,1H3
InChIKeyDZJQXWGHNGWJFS-UHFFFAOYSA-N
XLogP2.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-2-ylbut-3-ynenitrile
CID 170474971
4-(4-chloro-3-methylphenyl)but-3-ynenitrile
CID 170474322
4-(4-methoxy-3-methylphenyl)but-3-ynenitrile
CID 170474712
4-(3,4-dimethoxyphenyl)but-3-ynenitrile
CID 170475083
2-[6-(2-phenylethynyl)quinolin-2-yl]acetonitrile
CID 54597602
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methylquinolin-6-ol
CID 594395
(2-methylquinolin-6-yl)methanethiol
CID 105379811
4-(4-chloro-3-hydroxyphenyl)but-3-ynenitrile
CID 170474402
N,N-diethyl-2-methylquinolin-6-amine
CID 23464022
trimethyl-[(2-methylquinolin-6-yl)methyl]silane
CID 134953516
6-methyl-1,5-naphthyridine-3-carbonitrile
CID 58724326

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-6-yl)but-3-ynenitrile?
The IUPAC name of 4-(2-methylquinolin-6-yl)but-3-ynenitrile (CID 170475554) is 4-(2-methylquinolin-6-yl)but-3-ynenitrile.
What is the SMILES notation for 4-(2-methylquinolin-6-yl)but-3-ynenitrile?
The canonical SMILES for 4-(2-methylquinolin-6-yl)but-3-ynenitrile is Cc1ccc2cc(C#CCC#N)ccc2n1.
What is the InChIKey of 4-(2-methylquinolin-6-yl)but-3-ynenitrile?
The InChIKey is DZJQXWGHNGWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-11-5-7-13-10-12(4-2-3-9-15)6-8-14(13)16-11/h5-8,10H,3H2,1H3.
What are the key properties of 4-(2-methylquinolin-6-yl)but-3-ynenitrile?
4-(2-methylquinolin-6-yl)but-3-ynenitrile has a molecular weight of 206.25 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-6-yl)but-3-ynenitrile is sourced from PubChem (CID 170475554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).