4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile

C17H13N3O — CID 89363462

IUPAC4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
SMILESCc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N
InChIInChI=1S/C17H13N3O/c1-11-8-16-15(9-12(11)10-18)17(6-7-20-16)21-14-4-2-13(19)3-5-14/h2-9H,19H2,1H3
InChIKeyFVQCOCLBKZIIFB-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile

4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile (PubChem CID 89363462) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
PubChem CID89363462
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
SMILESCc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N
InChIInChI=1S/C17H13N3O/c1-11-8-16-15(9-12(11)10-18)17(6-7-20-16)21-14-4-2-13(19)3-5-14/h2-9H,19H2,1H3
InChIKeyFVQCOCLBKZIIFB-UHFFFAOYSA-N
XLogP3.79
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
CID 88946677
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
CID 157160693
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
CID 142137157
2-methyl-4-quinolin-5-yloxybenzonitrile
CID 103044749
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
CID 142410654
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile?
The IUPAC name of 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile (CID 89363462) is 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile.
What is the SMILES notation for 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile?
The canonical SMILES for 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile is Cc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N.
What is the InChIKey of 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile?
The InChIKey is FVQCOCLBKZIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-8-16-15(9-12(11)10-18)17(6-7-20-16)21-14-4-2-13(19)3-5-14/h2-9H,19H2,1H3.
What are the key properties of 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile?
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile is sourced from PubChem (CID 89363462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).