4-methyl-6-phenylmethoxyquinoline-2-carbonitrile

C18H14N2O — CID 82573287

IUPAC4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
SMILESCc1cc(C#N)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H14N2O/c1-13-9-15(11-19)20-18-8-7-16(10-17(13)18)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3
InChIKeyMNENLABGLGTRCO-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.99
Rot. Bonds3

About 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile

4-methyl-6-phenylmethoxyquinoline-2-carbonitrile (PubChem CID 82573287) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
PubChem CID82573287
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
SMILESCc1cc(C#N)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H14N2O/c1-13-9-15(11-19)20-18-8-7-16(10-17(13)18)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3
InChIKeyMNENLABGLGTRCO-UHFFFAOYSA-N
XLogP3.99
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
CID 82573318
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
2-methyl-1-(4-methyl-6-phenylmethoxyquinolin-2-yl)propan-2-amine
CID 82577312
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
2-methyl-6-phenylmethoxyquinoline
CID 82580854
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
2-methyl-6-phenylmethoxyquinoline-4-carbothioamide
CID 82574282
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile?
The IUPAC name of 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile (CID 82573287) is 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile.
What is the SMILES notation for 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile?
The canonical SMILES for 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile is Cc1cc(C#N)nc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile?
The InChIKey is MNENLABGLGTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-9-15(11-19)20-18-8-7-16(10-17(13)18)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3.
What are the key properties of 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile?
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenylmethoxyquinoline-2-carbonitrile is sourced from PubChem (CID 82573287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).