2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile

C22H17N3O — CID 91643069

IUPAC2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
SMILESCOc1ccc2cc(CNc3cc(C#N)c4ccccc4n3)ccc2c1
InChIInChI=1S/C22H17N3O/c1-26-19-9-8-16-10-15(6-7-17(16)11-19)14-24-22-12-18(13-23)20-4-2-3-5-21(20)25-22/h2-12H,14H2,1H3,(H,24,25)
InChIKeyOKUDNZOZYJSMSB-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile

2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile (PubChem CID 91643069) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
PubChem CID91643069
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
SMILESCOc1ccc2cc(CNc3cc(C#N)c4ccccc4n3)ccc2c1
InChIInChI=1S/C22H17N3O/c1-26-19-9-8-16-10-15(6-7-17(16)11-19)14-24-22-12-18(13-23)20-4-2-3-5-21(20)25-22/h2-12H,14H2,1H3,(H,24,25)
InChIKeyOKUDNZOZYJSMSB-UHFFFAOYSA-N
XLogP4.88
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
CID 83030385
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
CID 63885433
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
2-(2-methoxyanilino)quinoline-4-carbonitrile
CID 63885647
2-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]-6-nitroquinoline-4-carbonitrile
CID 133318535
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile (CID 91643069) is 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile is COc1ccc2cc(CNc3cc(C#N)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile?
The InChIKey is OKUDNZOZYJSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-19-9-8-16-10-15(6-7-17(16)11-19)14-24-22-12-18(13-23)20-4-2-3-5-21(20)25-22/h2-12H,14H2,1H3,(H,24,25).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile?
2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 91643069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).