8-(4-methylphenoxy)quinoline-2-carbonitrile

C17H12N2O — CID 102941340

IUPAC8-(4-methylphenoxy)quinoline-2-carbonitrile
SMILESCc1ccc(Oc2cccc3ccc(C#N)nc23)cc1
InChIInChI=1S/C17H12N2O/c1-12-5-9-15(10-6-12)20-16-4-2-3-13-7-8-14(11-18)19-17(13)16/h2-10H,1H3
InChIKeyKTGATNBNQFFIIQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.21
Rot. Bonds2

About 8-(4-methylphenoxy)quinoline-2-carbonitrile

8-(4-methylphenoxy)quinoline-2-carbonitrile (PubChem CID 102941340) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-(4-methylphenoxy)quinoline-2-carbonitrile.

Molecular Properties

Compound Name8-(4-methylphenoxy)quinoline-2-carbonitrile
PubChem CID102941340
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name8-(4-methylphenoxy)quinoline-2-carbonitrile
SMILESCc1ccc(Oc2cccc3ccc(C#N)nc23)cc1
InChIInChI=1S/C17H12N2O/c1-12-5-9-15(10-6-12)20-16-4-2-3-13-7-8-14(11-18)19-17(13)16/h2-10H,1H3
InChIKeyKTGATNBNQFFIIQ-UHFFFAOYSA-N
XLogP4.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-ethoxyethoxy)quinoline-2-carbonitrile
CID 70500628
CID 145139332
CID 145139332
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
2-[4-(4-methoxyphenyl)phenoxy]-6-methylbenzonitrile
CID 59383233
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
6-(2-methylquinolin-8-yl)oxypyridine-3-carbonitrile
CID 43244932
2-[4-[4-[2-cyano-3-(4-methoxyphenoxy)phenoxy]phenyl]phenoxy]-6-methylbenzonitrile
CID 170296414
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
CID 155713235
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
CID 43352179

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenoxy)quinoline-2-carbonitrile?
The IUPAC name of 8-(4-methylphenoxy)quinoline-2-carbonitrile (CID 102941340) is 8-(4-methylphenoxy)quinoline-2-carbonitrile.
What is the SMILES notation for 8-(4-methylphenoxy)quinoline-2-carbonitrile?
The canonical SMILES for 8-(4-methylphenoxy)quinoline-2-carbonitrile is Cc1ccc(Oc2cccc3ccc(C#N)nc23)cc1.
What is the InChIKey of 8-(4-methylphenoxy)quinoline-2-carbonitrile?
The InChIKey is KTGATNBNQFFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-12-5-9-15(10-6-12)20-16-4-2-3-13-7-8-14(11-18)19-17(13)16/h2-10H,1H3.
What are the key properties of 8-(4-methylphenoxy)quinoline-2-carbonitrile?
8-(4-methylphenoxy)quinoline-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenoxy)quinoline-2-carbonitrile is sourced from PubChem (CID 102941340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).