N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C26H22N4O3S — CID 55383441

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c3ccccc3n12
InChIInChI=1S/C26H22N4O3S/c1-16-27-21-9-5-3-7-19(21)25-24(20-8-4-6-10-23(20)30(16)25)28-26(31)18-11-12-22-17(15-18)13-14-29(22)34(2,32)33/h3-12,15H,13-14H2,1-2H3,(H,28,31)
InChIKeyVYISMKALZLNJRA-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.52
Rot. Bonds3

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55383441) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55383441
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c3ccccc3n12
InChIInChI=1S/C26H22N4O3S/c1-16-27-21-9-5-3-7-19(21)25-24(20-8-4-6-10-23(20)30(16)25)28-26(31)18-11-12-22-17(15-18)13-14-29(22)34(2,32)33/h3-12,15H,13-14H2,1-2H3,(H,28,31)
InChIKeyVYISMKALZLNJRA-UHFFFAOYSA-N
XLogP4.52
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46692785
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51222022
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 100801390
5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31302853
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
1-methylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 36580021
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
CID 51587529
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621

Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55383441) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1nc2ccccc2c2c(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VYISMKALZLNJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-16-27-21-9-5-3-7-19(21)25-24(20-8-4-6-10-23(20)30(16)25)28-26(31)18-11-12-22-17(15-18)13-14-29(22)34(2,32)33/h3-12,15H,13-14H2,1-2H3,(H,28,31).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55383441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).