2-methyl-6-phenylmethoxyquinoline-4-carbonitrile

C18H14N2O — CID 82573318

IUPAC2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C18H14N2O/c1-13-9-15(11-19)17-10-16(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3
InChIKeyREVYBABXHCJUKF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.99
Rot. Bonds3

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

2-methyl-6-phenylmethoxyquinoline-4-carbonitrile (PubChem CID 82573318) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
PubChem CID82573318
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C18H14N2O/c1-13-9-15(11-19)17-10-16(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3
InChIKeyREVYBABXHCJUKF-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

4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2-methyl-6-phenylmethoxyquinoline-4-carbothioamide
CID 82574282
6-(bromomethyl)-2-methylquinoline-4-carbonitrile
CID 14991280
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
6-butyl-2-methylquinoline-4-carbonitrile
CID 82573302
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile?
The IUPAC name of 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile (CID 82573318) is 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile?
The canonical SMILES for 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile is Cc1cc(C#N)c2cc(OCc3ccccc3)ccc2n1.
What is the InChIKey of 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile?
The InChIKey is REVYBABXHCJUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-9-15(11-19)17-10-16(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3.
What are the key properties of 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile?
2-methyl-6-phenylmethoxyquinoline-4-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 2-methyl-6-phenylmethoxyquinoline-4-carbonitrile is sourced from PubChem (CID 82573318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).