N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid

C90H59ClF10N16O15S3 — CID 157171254

About N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid

N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 157171254) has the molecular formula C90H59ClF10N16O15S3 and a molecular weight of 1926.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
• PubChem CID: 157171254
• Molecular Formula: C90H59ClF10N16O15S3
• Molecular Weight: 1926.19 g/mol
• Exact Mass: 1924.30
• IUPAC Name: N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
• SMILES: Cn1c(C(=O)NCCN)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.N#Cc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4cscc4c3=O)c3cc(C(F)(F)F)ccc32)c1.Nc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4cscc4c3=O)c3cc(C(F)(F)F)ccc32)c1.O=C(O)c1c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F
• InChI: InChI=1S/C24H13F3N4O4S.C23H13F4N3O4S.C23H15F3N4O4S.C20H18ClN5O3/c25-24(26,27)14-4-5-18-15(7-14)19(31-21(32)16-10-36-11-17(16)29-23(31)35)20(22(33)34)30(18)9-13-3-1-2-12(6-13)8-28;24-15-4-2-1-3-11(15)8-29-17-6-5-12(23(25,26)27)7-13(17)18(19(29)21(32)33)30-20(31)14-9-35-10-16(14)28-22(30)34;24-23(25,26)12-4-5-17-14(7-12)18(30-20(31)15-9-35-10-16(15)28-22(30)34)19(21(32)33)29(17)8-11-2-1-3-13(27)6-11;1-25-15-7-6-11(21)10-13(15)16(17(25)18(27)23-9-8-22)26-19(28)12-4-2-3-5-14(12)24-20(26)29/h1-7,10-11H,9H2,(H,29,35)(H,33,34);1-7,9-10H,8H2,(H,28,34)(H,32,33);1-7,9-10H,8,27H2,(H,28,34)(H,32,33);2-7,10H,8-9,22H2,1H3,(H,23,27)(H,24,29)
• InChIKey: ANMKOSWPEOAXOS-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 455.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.19
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The IUPAC name of N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid (CID 157171254) is N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid.

What is the SMILES notation for N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The canonical SMILES for N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid is Cn1c(C(=O)NCCN)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.N#Cc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4cscc4c3=O)c3cc(C(F)(F)F)ccc32)c1.Nc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4cscc4c3=O)c3cc(C(F)(F)F)ccc32)c1.O=C(O)c1c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F.

What is the InChIKey of N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The InChIKey is ANMKOSWPEOAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3N4O4S.C23H13F4N3O4S.C23H15F3N4O4S.C20H18ClN5O3/c25-24(26,27)14-4-5-18-15(7-14)19(31-21(32)16-10-36-11-17(16)29-23(31)35)20(22(33)34)30(18)9-13-3-1-2-12(6-13)8-28;24-15-4-2-1-3-11(15)8-29-17-6-5-12(23(25,26)27)7-13(17)18(19(29)21(32)33)30-20(31)14-9-35-10-16(14)28-22(30)34;24-23(25,26)12-4-5-17-14(7-12)18(30-20(31)15-9-35-10-16(15)28-22(30)34)19(21(32)33)29(17)8-11-2-1-3-13(27)6-11;1-25-15-7-6-11(21)10-13(15)16(17(25)18(27)23-9-8-22)26-19(28)12-4-2-3-5-14(12)24-20(26)29/h1-7,10-11H,9H2,(H,29,35)(H,33,34);1-7,9-10H,8H2,(H,28,34)(H,32,33);1-7,9-10H,8,27H2,(H,28,34)(H,32,33);2-7,10H,8-9,22H2,1H3,(H,23,27)(H,24,29).

What are the key properties of N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 1926.19 g/mol, XLogP of 14.49, 16 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-cyanophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 157171254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).