1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid

C91H62Cl3F3N12O17S — CID 161122120

IUPAC1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(N3C(=O)Cc4ccccc4C3=O)c3cc(Cl)ccc32)c1.Cn1c(C(=O)O)c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc21.Nc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc32)c1.O=C(O)c1c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H19ClN2O5.C24H17ClN4O4.C24H16ClN3O4.C17H10F3N3O4S/c1-34-18-7-4-5-15(11-18)14-28-21-10-9-17(27)13-20(21)23(24(28)26(32)33)29-22(30)12-16-6-2-3-8-19(16)25(29)31;25-14-8-9-19-17(11-14)20(29-22(30)16-6-1-2-7-18(16)27-24(29)33)21(23(31)32)28(19)12-13-4-3-5-15(26)10-13;25-15-10-11-19-17(12-15)20(21(23(30)31)27(19)13-14-6-2-1-3-7-14)28-22(29)16-8-4-5-9-18(16)26-24(28)32;1-22-11-3-2-7(17(18,19)20)4-8(11)12(13(22)15(25)26)23-14(24)9-5-28-6-10(9)21-16(23)27/h2-11,13H,12,14H2,1H3,(H,32,33);1-11H,12,26H2,(H,27,33)(H,31,32);1-12H,13H2,(H,26,32)(H,30,31);2-6H,1H3,(H,21,27)(H,25,26)
InChIKeyULBYJUKXACSZGU-UHFFFAOYSA-N
MW1790.98 g/mol
LogP15.38
Rot. Bonds15

About 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid

1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 161122120) has the molecular formula C91H62Cl3F3N12O17S and a molecular weight of 1790.98 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid
PubChem CID161122120
Molecular FormulaC91H62Cl3F3N12O17S
Molecular Weight1790.98 g/mol
Exact Mass1788.31
IUPAC Name1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(N3C(=O)Cc4ccccc4C3=O)c3cc(Cl)ccc32)c1.Cn1c(C(=O)O)c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc21.Nc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc32)c1.O=C(O)c1c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H19ClN2O5.C24H17ClN4O4.C24H16ClN3O4.C17H10F3N3O4S/c1-34-18-7-4-5-15(11-18)14-28-21-10-9-17(27)13-20(21)23(24(28)26(32)33)29-22(30)12-16-6-2-3-8-19(16)25(29)31;25-14-8-9-19-17(11-14)20(29-22(30)16-6-1-2-7-18(16)27-24(29)33)21(23(31)32)28(19)12-13-4-3-5-15(26)10-13;25-15-10-11-19-17(12-15)20(21(23(30)31)27(19)13-14-6-2-1-3-7-14)28-22(29)16-8-4-5-9-18(16)26-24(28)32;1-22-11-3-2-7(17(18,19)20)4-8(11)12(13(22)15(25)26)23-14(24)9-5-28-6-10(9)21-16(23)27/h2-11,13H,12,14H2,1H3,(H,32,33);1-11H,12,26H2,(H,27,33)(H,31,32);1-12H,13H2,(H,26,32)(H,30,31);2-6H,1H3,(H,21,27)(H,25,26)
InChIKeyULBYJUKXACSZGU-UHFFFAOYSA-N
XLogP15.38
TPSA406.13 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.98
LogP ≤ 515.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid with MolForge

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Related Compounds

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
1-benzyl-5-chloro-3-(1,3-dioxo-6,7,8,9-tetrahydro-4H-[1]benzothiolo[3,2-c]pyridin-2-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(4,6-dioxo-7H-thieno[3,2-c]pyridin-5-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-[3-(furan-2-yl)-4,6-dioxo-7H-thieno[3,2-c]pyridin-5-yl]indole-2-carboxylic acid;1-[(2,5-difluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide
CID 157570583
5-[acetyl(methyl)amino]-3-(3-imino-1-oxo-4H-isoquinolin-2-yl)-1-methylindole-2-carboxylic acid;1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;3-(2,4-dioxo-1H-quinazolin-3-yl)-1-[(3-methoxyphenyl)methyl]-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide
CID 157657719
1-[(3-bromophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(2-chloro-5-fluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[[3-(dimethylamino)phenyl]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-(furan-3-ylmethyl)-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide
CID 158347728
1-benzyl-5-chloro-3-(1-methyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidin-5-yl)indole-2-carboxylic acid;5-bromo-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;1-[(3,5-difluorophenyl)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-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
CID 158513635
1-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-5-chloro-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)indole-2-carboxylic acid;1-butyl-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-(pyrrolidin-3-ylmethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
CID 158720164
3-[1-[(3-aminophenyl)methyl]-5-bromo-2-(2-methylsulfonylacetyl)indol-3-yl]-1H-quinazoline-2,4-dione;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;5-bromo-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-[(3-methoxyphenyl)methyl]-N-methylsulfonylindole-2-carboxamide;1-[(2-chloro-3-pyridinyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 158785950
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-chloro-5-fluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(2,4-difluorophenyl)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-[(3-nitrophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159087375
1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-methylsulfonylindole-2-carboxamide;1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3,5-dimethoxyphenyl)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)-5-(trifluoromethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 159145839
3-(2,4-dioxo-1H-quinazolin-3-yl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(3-methylphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-(thiophen-2-ylmethyl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159210828
5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-[(3-hydroxyphenyl)methyl]indole-2-carboxylic acid;1-[(4-chloro-2-fluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-[5-chloro-1-[(3-methoxyphenyl)methyl]-2-(2-methylsulfonylacetyl)indol-3-yl]-1H-thieno[3,4-d]pyrimidine-2,4-dione;1-[(2,3-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159252148
1-[(3-aminophenyl)methyl]-5-bromo-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-[(3-aminophenyl)methyl]-5-bromo-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)indole-2-carboxylic acid;1-[(2-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-methoxyphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159275930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid?
The IUPAC name of 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid (CID 161122120) is 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid is COc1cccc(Cn2c(C(=O)O)c(N3C(=O)Cc4ccccc4C3=O)c3cc(Cl)ccc32)c1.Cn1c(C(=O)O)c(-n2c(=O)[nH]c3cscc3c2=O)c2cc(C(F)(F)F)ccc21.Nc1cccc(Cn2c(C(=O)O)c(-n3c(=O)[nH]c4ccccc4c3=O)c3cc(Cl)ccc32)c1.O=C(O)c1c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid?
The InChIKey is ULBYJUKXACSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O5.C24H17ClN4O4.C24H16ClN3O4.C17H10F3N3O4S/c1-34-18-7-4-5-15(11-18)14-28-21-10-9-17(27)13-20(21)23(24(28)26(32)33)29-22(30)12-16-6-2-3-8-19(16)25(29)31;25-14-8-9-19-17(11-14)20(29-22(30)16-6-1-2-7-18(16)27-24(29)33)21(23(31)32)28(19)12-13-4-3-5-15(26)10-13;25-15-10-11-19-17(12-15)20(21(23(30)31)27(19)13-14-6-2-1-3-7-14)28-22(29)16-8-4-5-9-18(16)26-24(28)32;1-22-11-3-2-7(17(18,19)20)4-8(11)12(13(22)15(25)26)23-14(24)9-5-28-6-10(9)21-16(23)27/h2-11,13H,12,14H2,1H3,(H,32,33);1-11H,12,26H2,(H,27,33)(H,31,32);1-12H,13H2,(H,26,32)(H,30,31);2-6H,1H3,(H,21,27)(H,25,26).
What are the key properties of 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid?
1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 1790.98 g/mol, XLogP of 15.38, 15 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;1-benzyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid;5-chloro-3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-methyl-5-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 161122120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).