4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile

C38H32N6O8 — CID 160747273

IUPAC4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
SMILESCOCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1C#N
InChIInChI=1S/C19H15N3O5.C19H17N3O3/c1-25-8-9-26-19-11-17-16(10-13(19)12-20)18(6-7-21-17)27-15-4-2-14(3-5-15)22(23)24;1-23-8-9-24-19-11-17-16(10-13(19)12-20)18(6-7-22-17)25-15-4-2-14(21)3-5-15/h2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9,21H2,1H3
InChIKeyRWISFTDYPNBCDX-UHFFFAOYSA-N
MW700.71 g/mol
LogP7.34
Rot. Bonds13

About 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile

4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile (PubChem CID 160747273) has the molecular formula C38H32N6O8 and a molecular weight of 700.71 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
PubChem CID160747273
Molecular FormulaC38H32N6O8
Molecular Weight700.71 g/mol
Exact Mass700.23
IUPAC Name4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
SMILESCOCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1C#N
InChIInChI=1S/C19H15N3O5.C19H17N3O3/c1-25-8-9-26-19-11-17-16(10-13(19)12-20)18(6-7-21-17)27-15-4-2-14(3-5-15)22(23)24;1-23-8-9-24-19-11-17-16(10-13(19)12-20)18(6-7-22-17)25-15-4-2-14(21)3-5-15/h2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9,21H2,1H3
InChIKeyRWISFTDYPNBCDX-UHFFFAOYSA-N
XLogP7.34
TPSA197.90 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.71
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-N-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329948
4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
CID 88946677
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile?
The IUPAC name of 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile (CID 160747273) is 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile.
What is the SMILES notation for 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile?
The canonical SMILES for 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile is COCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1C#N.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1C#N.
What is the InChIKey of 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile?
The InChIKey is RWISFTDYPNBCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5.C19H17N3O3/c1-25-8-9-26-19-11-17-16(10-13(19)12-20)18(6-7-21-17)27-15-4-2-14(3-5-15)22(23)24;1-23-8-9-24-19-11-17-16(10-13(19)12-20)18(6-7-22-17)25-15-4-2-14(21)3-5-15/h2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9,21H2,1H3.
What are the key properties of 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile?
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile has a molecular weight of 700.71 g/mol, XLogP of 7.34, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile is sourced from PubChem (CID 160747273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).