4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile

C20H17N3O3 — CID 88946677

IUPAC4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
SMILESCc1cc(Oc2ccnc3cc(OC[C@H]4CO4)c(C#N)cc23)ccc1N
InChIInChI=1S/C20H17N3O3/c1-12-6-14(2-3-17(12)22)26-19-4-5-23-18-8-20(25-11-15-10-24-15)13(9-21)7-16(18)19/h2-8,15H,10-11,22H2,1H3/t15-/m1/s1
InChIKeyNCGHACROUYVPIE-OAHLLOKOSA-N
MW347.37 g/mol
LogP3.57
Rot. Bonds5

About 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile

4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile (PubChem CID 88946677) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
PubChem CID88946677
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
SMILESCc1cc(Oc2ccnc3cc(OC[C@H]4CO4)c(C#N)cc23)ccc1N
InChIInChI=1S/C20H17N3O3/c1-12-6-14(2-3-17(12)22)26-19-4-5-23-18-8-20(25-11-15-10-24-15)13(9-21)7-16(18)19/h2-8,15H,10-11,22H2,1H3/t15-/m1/s1
InChIKeyNCGHACROUYVPIE-OAHLLOKOSA-N
XLogP3.57
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[2-chloro-4-[6-cyano-7-(oxiran-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-3-ethylurea
CID 22936258
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
1-[4-[6-cyano-7-[[(2R)-oxiran-2-yl]methoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 86591483
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
CID 142137157
4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile
CID 22937024
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
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
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile?
The IUPAC name of 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile (CID 88946677) is 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile.
What is the SMILES notation for 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile?
The canonical SMILES for 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile is Cc1cc(Oc2ccnc3cc(OC[C@H]4CO4)c(C#N)cc23)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile?
The InChIKey is NCGHACROUYVPIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-6-14(2-3-17(12)22)26-19-4-5-23-18-8-20(25-11-15-10-24-15)13(9-21)7-16(18)19/h2-8,15H,10-11,22H2,1H3/t15-/m1/s1.
What are the key properties of 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile?
4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile is sourced from PubChem (CID 88946677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).