methane;6-quinolin-2-ylnaphthalene-1-carbonitrile

C21H16N2 — CID 174721917

IUPACmethane;6-quinolin-2-ylnaphthalene-1-carbonitrile
SMILESC.N#Cc1cccc2cc(-c3ccc4ccccc4n3)ccc12
InChIInChI=1S/C20H12N2.CH4/c21-13-17-6-3-5-15-12-16(8-10-18(15)17)20-11-9-14-4-1-2-7-19(14)22-20;/h1-12H;1H4
InChIKeyLITLMQWROQJRFW-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.56
Rot. Bonds1

About methane;6-quinolin-2-ylnaphthalene-1-carbonitrile

methane;6-quinolin-2-ylnaphthalene-1-carbonitrile (PubChem CID 174721917) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methane;6-quinolin-2-ylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Namemethane;6-quinolin-2-ylnaphthalene-1-carbonitrile
PubChem CID174721917
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Namemethane;6-quinolin-2-ylnaphthalene-1-carbonitrile
SMILESC.N#Cc1cccc2cc(-c3ccc4ccccc4n3)ccc12
InChIInChI=1S/C20H12N2.CH4/c21-13-17-6-3-5-15-12-16(8-10-18(15)17)20-11-9-14-4-1-2-7-19(14)22-20;/h1-12H;1H4
InChIKeyLITLMQWROQJRFW-UHFFFAOYSA-N
XLogP5.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455
anthracene-1-carbonitrile
CID 3036603
naphthalene-1-carbonitrile;sulfane
CID 175607355
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
trimethyl-[4-[4-(6-quinolin-2-ylnaphthalen-2-yl)phenyl]phenyl]silane
CID 171056328
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile
CID 170251498

Frequently Asked Questions

What is the IUPAC name of methane;6-quinolin-2-ylnaphthalene-1-carbonitrile?
The IUPAC name of methane;6-quinolin-2-ylnaphthalene-1-carbonitrile (CID 174721917) is methane;6-quinolin-2-ylnaphthalene-1-carbonitrile.
What is the SMILES notation for methane;6-quinolin-2-ylnaphthalene-1-carbonitrile?
The canonical SMILES for methane;6-quinolin-2-ylnaphthalene-1-carbonitrile is C.N#Cc1cccc2cc(-c3ccc4ccccc4n3)ccc12.
What is the InChIKey of methane;6-quinolin-2-ylnaphthalene-1-carbonitrile?
The InChIKey is LITLMQWROQJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2.CH4/c21-13-17-6-3-5-15-12-16(8-10-18(15)17)20-11-9-14-4-1-2-7-19(14)22-20;/h1-12H;1H4.
What are the key properties of methane;6-quinolin-2-ylnaphthalene-1-carbonitrile?
methane;6-quinolin-2-ylnaphthalene-1-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-quinolin-2-ylnaphthalene-1-carbonitrile is sourced from PubChem (CID 174721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).