7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide

C23H23N3O3S — CID 22936996

IUPAC7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4CCCSC)c3)c2cc1C(N)=O
InChIInChI=1S/C23H23N3O3S/c1-28-22-14-19-17(13-18(22)23(24)27)21(6-8-25-19)29-16-4-5-20-15(12-16)7-10-26(20)9-3-11-30-2/h4-8,10,12-14H,3,9,11H2,1-2H3,(H2,24,27)
InChIKeyTWSSWKULOLJUOY-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.84
Rot. Bonds8

About 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide

7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide (PubChem CID 22936996) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
PubChem CID22936996
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4CCCSC)c3)c2cc1C(N)=O
InChIInChI=1S/C23H23N3O3S/c1-28-22-14-19-17(13-18(22)23(24)27)21(6-8-25-19)29-16-4-5-20-15(12-16)7-10-26(20)9-3-11-30-2/h4-8,10,12-14H,3,9,11H2,1-2H3,(H2,24,27)
InChIKeyTWSSWKULOLJUOY-UHFFFAOYSA-N
XLogP4.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 160978849
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
CID 142776497
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide (CID 22936996) is 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(ccn4CCCSC)c3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide?
The InChIKey is TWSSWKULOLJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-28-22-14-19-17(13-18(22)23(24)27)21(6-8-25-19)29-16-4-5-20-15(12-16)7-10-26(20)9-3-11-30-2/h4-8,10,12-14H,3,9,11H2,1-2H3,(H2,24,27).
What are the key properties of 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide?
7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 22936996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).