4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile

C22H21ClN4O2 — CID 22937024

IUPAC4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(Cl)c(N)c3)ccnc2cc1OCCN1CCCC1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-3-16(12-19(18)25)29-21-5-6-26-20-13-22(15(14-24)11-17(20)21)28-10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10,25H2
InChIKeyKAIUGNKURDVEAD-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.61
Rot. Bonds6

About 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile

4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile (PubChem CID 22937024) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile
PubChem CID22937024
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(Cl)c(N)c3)ccnc2cc1OCCN1CCCC1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-3-16(12-19(18)25)29-21-5-6-26-20-13-22(15(14-24)11-17(20)21)28-10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10,25H2
InChIKeyKAIUGNKURDVEAD-UHFFFAOYSA-N
XLogP4.61
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
CID 88946677
4-[(6-fluoro-1H-indol-5-yl)oxy]-7-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carbonitrile
CID 10113512
1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-methylphenyl]-3-cyclopropylurea;1-[4-[6-cyano-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxy-2-methylphenyl]-3-cyclopropylurea
CID 159374911
1-[2-chloro-4-[6-cyano-7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]quinolin-4-yl]oxyphenyl]-3-ethylurea
CID 67204229
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
CID 142137157
1-[4-[6-cyano-7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 67202785
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile?
The IUPAC name of 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile (CID 22937024) is 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile.
What is the SMILES notation for 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile?
The canonical SMILES for 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile is N#Cc1cc2c(Oc3ccc(Cl)c(N)c3)ccnc2cc1OCCN1CCCC1.
What is the InChIKey of 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile?
The InChIKey is KAIUGNKURDVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-4-3-16(12-19(18)25)29-21-5-6-26-20-13-22(15(14-24)11-17(20)21)28-10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10,25H2.
What are the key properties of 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile?
4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile has a molecular weight of 408.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile is sourced from PubChem (CID 22937024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).