2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile

C17H20N2 — CID 82448018

IUPAC2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile
SMILESCCc1cccc2c(CC#N)cc(C(C)(C)C)nc12
InChIInChI=1S/C17H20N2/c1-5-12-7-6-8-14-13(9-10-18)11-15(17(2,3)4)19-16(12)14/h6-8,11H,5,9H2,1-4H3
InChIKeyYWPCTMJCPFMLBB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.16
Rot. Bonds2

About 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile

2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile (PubChem CID 82448018) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile
PubChem CID82448018
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile
SMILESCCc1cccc2c(CC#N)cc(C(C)(C)C)nc12
InChIInChI=1S/C17H20N2/c1-5-12-7-6-8-14-13(9-10-18)11-15(17(2,3)4)19-16(12)14/h6-8,11H,5,9H2,1-4H3
InChIKeyYWPCTMJCPFMLBB-UHFFFAOYSA-N
XLogP4.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
CID 82448026
2-(4-ethyl-1,3-benzoxazol-2-yl)acetonitrile
CID 130784394
2-(8-ethyl-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 84630399
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
CID 84618582
1-(8-ethyl-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82447933
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
2-(8-tert-butylnaphthalen-1-yl)acetonitrile
CID 168848356
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
CID 82449722

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile (CID 82448018) is 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile is CCc1cccc2c(CC#N)cc(C(C)(C)C)nc12.
What is the InChIKey of 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile?
The InChIKey is YWPCTMJCPFMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-5-12-7-6-8-14-13(9-10-18)11-15(17(2,3)4)19-16(12)14/h6-8,11H,5,9H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile?
2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile has a molecular weight of 252.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile is sourced from PubChem (CID 82448018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).