6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile

C21H14N2O — CID 23224654

IUPAC6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C21H14N2O/c22-13-15-5-6-18-12-20(10-8-17(18)11-15)24-14-19-9-7-16-3-1-2-4-21(16)23-19/h1-12H,14H2
InChIKeyDLQHJZJFPNIALL-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.84
Rot. Bonds3

About 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile

6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile (PubChem CID 23224654) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
PubChem CID23224654
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C21H14N2O/c22-13-15-5-6-18-12-20(10-8-17(18)11-15)24-14-19-9-7-16-3-1-2-4-21(16)23-19/h1-12H,14H2
InChIKeyDLQHJZJFPNIALL-UHFFFAOYSA-N
XLogP4.84
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
CID 14774171
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-(oxan-2-yloxy)-3-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 67026365
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
4-[2,2-dimethyl-5-oxo-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-yl]benzonitrile
CID 44595311
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile?
The IUPAC name of 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile (CID 23224654) is 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile is N#Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile?
The InChIKey is DLQHJZJFPNIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c22-13-15-5-6-18-12-20(10-8-17(18)11-15)24-14-19-9-7-16-3-1-2-4-21(16)23-19/h1-12H,14H2.
What are the key properties of 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile?
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 23224654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).