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

C24H24N4O4S — CID 58931280

IUPAC7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCCSC)c3)c2cc1C(N)=O
InChIInChI=1S/C24H24N4O4S/c1-31-22-14-19-17(13-18(22)23(25)29)21(6-9-26-19)32-16-4-5-20-15(12-16)7-10-28(20)24(30)27-8-3-11-33-2/h4-7,9-10,12-14H,3,8,11H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyXBDUHDYKQNGMHV-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.40
Rot. Bonds8

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

7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide (PubChem CID 58931280) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
PubChem CID58931280
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCCSC)c3)c2cc1C(N)=O
InChIInChI=1S/C24H24N4O4S/c1-31-22-14-19-17(13-18(22)23(25)29)21(6-9-26-19)32-16-4-5-20-15(12-16)7-10-28(20)24(30)27-8-3-11-33-2/h4-7,9-10,12-14H,3,8,11H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyXBDUHDYKQNGMHV-UHFFFAOYSA-N
XLogP4.40
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 22936996
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
CID 87307976
5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide
CID 91385858
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide (CID 58931280) is 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(ccn4C(=O)NCCCSC)c3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide?
The InChIKey is XBDUHDYKQNGMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-31-22-14-19-17(13-18(22)23(25)29)21(6-9-26-19)32-16-4-5-20-15(12-16)7-10-28(20)24(30)27-8-3-11-33-2/h4-7,9-10,12-14H,3,8,11H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide?
7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 58931280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).