5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

C25H19ClN4O6S — CID 58331457

IUPAC5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc3n2C)cc1
InChIInChI=1S/C25H19ClN4O6S/c1-29-20-12-7-14(26)13-18(20)21(30-24(32)17-5-3-4-6-19(17)27-25(30)33)22(29)23(31)28-37(34,35)16-10-8-15(36-2)9-11-16/h3-13H,1-2H3,(H,27,33)(H,28,31)
InChIKeyIWXBTNVPPOOAGZ-UHFFFAOYSA-N
MW538.97 g/mol
LogP2.95
Rot. Bonds5

About 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide

5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (PubChem CID 58331457) has the molecular formula C25H19ClN4O6S and a molecular weight of 538.97 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
PubChem CID58331457
Molecular FormulaC25H19ClN4O6S
Molecular Weight538.97 g/mol
Exact Mass538.07
IUPAC Name5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc3n2C)cc1
InChIInChI=1S/C25H19ClN4O6S/c1-29-20-12-7-14(26)13-18(20)21(30-24(32)17-5-3-4-6-19(17)27-25(30)33)22(29)23(31)28-37(34,35)16-10-8-15(36-2)9-11-16/h3-13H,1-2H3,(H,27,33)(H,28,31)
InChIKeyIWXBTNVPPOOAGZ-UHFFFAOYSA-N
XLogP2.95
TPSA132.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.97
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carbonyl]sulfamoyl]benzoate
CID 58331569
N-[2-bromo-4-(trifluoromethyl)phenyl]sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide
CID 58331590
5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide
CID 90260421
3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(fluoromethyl)-1-methylindole-2-carboxylic acid
CID 163668638
1-[(3-aminophenyl)methyl]-5-bromo-3-(2,4-dioxo-1H-quinazolin-3-yl)-N,N-dimethylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-5-chloro-N-cyclopropyl-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxamide;5-chloro-N-(2-cyanophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,6-dioxo-1,3-diazinan-1-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 159243261
5-chloro-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-methylindole-2-carboxylic acid
CID 58331500
1-[(3-aminophenyl)methyl]-5-chloro-N-(cyclopropylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxamide
CID 58331402
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
1-[3-chloro-4-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 159035262
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
3-(2-methoxynaphthalen-1-yl)-1H-quinazoline-2,4-dione
CID 11738646
N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 54695202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide (CID 58331457) is 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc3n2C)cc1.
What is the InChIKey of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
The InChIKey is IWXBTNVPPOOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O6S/c1-29-20-12-7-14(26)13-18(20)21(30-24(32)17-5-3-4-6-19(17)27-25(30)33)22(29)23(31)28-37(34,35)16-10-8-15(36-2)9-11-16/h3-13H,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide?
5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide has a molecular weight of 538.97 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 58331457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).