N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide

C26H30N4O3S — CID 46891007

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCc1cnc2c(S(=O)(=O)N3CC(C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1
InChIInChI=1S/C26H30N4O3S/c1-18-15-19-7-6-10-24(25(19)27-16-18)34(32,33)30-17-22(21-8-4-5-9-23(21)30)26(31)29(3)20-11-13-28(2)14-12-20/h4-10,15-16,20,22H,11-14,17H2,1-3H3
InChIKeyVVFPEFIJIGGTGQ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.39
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 46891007) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID46891007
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCc1cnc2c(S(=O)(=O)N3CC(C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1
InChIInChI=1S/C26H30N4O3S/c1-18-15-19-7-6-10-24(25(19)27-16-18)34(32,33)30-17-22(21-8-4-5-9-23(21)30)26(31)29(3)20-11-13-28(2)14-12-20/h4-10,15-16,20,22H,11-14,17H2,1-3H3
InChIKeyVVFPEFIJIGGTGQ-UHFFFAOYSA-N
XLogP3.39
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide (CID 46891007) is N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide is Cc1cnc2c(S(=O)(=O)N3CC(C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is VVFPEFIJIGGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-18-15-19-7-6-10-24(25(19)27-16-18)34(32,33)30-17-22(21-8-4-5-9-23(21)30)26(31)29(3)20-11-13-28(2)14-12-20/h4-10,15-16,20,22H,11-14,17H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).