5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid

C22H17N3O5 — CID 68668381

IUPAC5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
SMILESCOCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)O)c3)c2cc1C#N
InChIInChI=1S/C22H17N3O5/c1-28-8-9-29-21-12-18-17(11-15(21)13-23)20(4-6-24-18)30-16-2-3-19-14(10-16)5-7-25(19)22(26)27/h2-7,10-12H,8-9H2,1H3,(H,26,27)
InChIKeyPYNZOOVABVBIHX-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.40
Rot. Bonds6

About 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid

5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid (PubChem CID 68668381) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
PubChem CID68668381
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
SMILESCOCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)O)c3)c2cc1C#N
InChIInChI=1S/C22H17N3O5/c1-28-8-9-29-21-12-18-17(11-15(21)13-23)20(4-6-24-18)30-16-2-3-19-14(10-16)5-7-25(19)22(26)27/h2-7,10-12H,8-9H2,1H3,(H,26,27)
InChIKeyPYNZOOVABVBIHX-UHFFFAOYSA-N
XLogP4.40
TPSA106.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate
CID 91611866
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
CID 67202393
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843
1-N-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329948
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
CID 58272783
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969

Frequently Asked Questions

What is the IUPAC name of 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid?
The IUPAC name of 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid (CID 68668381) is 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid.
What is the SMILES notation for 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid?
The canonical SMILES for 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid is COCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)O)c3)c2cc1C#N.
What is the InChIKey of 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid?
The InChIKey is PYNZOOVABVBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-28-8-9-29-21-12-18-17(11-15(21)13-23)20(4-6-24-18)30-16-2-3-19-14(10-16)5-7-25(19)22(26)27/h2-7,10-12H,8-9H2,1H3,(H,26,27).
What are the key properties of 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid?
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid has a molecular weight of 403.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid is sourced from PubChem (CID 68668381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).