5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide

C21H23N3O4S — CID 46978665

IUPAC5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)c(C)c2c1
InChIInChI=1S/C21H23N3O4S/c1-13-17-12-16(28-2)8-9-18(17)23-20(13)21(25)22-15-7-6-14-5-4-10-24(19(14)11-15)29(3,26)27/h6-9,11-12,23H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyJMFGJZFHSQZMRC-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.45
Rot. Bonds4

About 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide

5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide (PubChem CID 46978665) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide
PubChem CID46978665
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)c(C)c2c1
InChIInChI=1S/C21H23N3O4S/c1-13-17-12-16(28-2)8-9-18(17)23-20(13)21(25)22-15-7-6-14-5-4-10-24(19(14)11-15)29(3,26)27/h6-9,11-12,23H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyJMFGJZFHSQZMRC-UHFFFAOYSA-N
XLogP3.45
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372695
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
CID 22689965

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide (CID 46978665) is 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide?
The InChIKey is JMFGJZFHSQZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-17-12-16(28-2)8-9-18(17)23-20(13)21(25)22-15-7-6-14-5-4-10-24(19(14)11-15)29(3,26)27/h6-9,11-12,23H,4-5,10H2,1-3H3,(H,22,25).
What are the key properties of 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide?
5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46978665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).