2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid

C120H98ClF6N17O20 — CID 160649565

About 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid

2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 160649565) has the molecular formula C120H98ClF6N17O20 and a molecular weight of 2247.64 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 160649565
• Molecular Formula: C120H98ClF6N17O20
• Molecular Weight: 2247.64 g/mol
• Exact Mass: 2245.68
• IUPAC Name: 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: CN(C)CC(=O)Cc1cc(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c2ccccc2n1.CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]c(N)nc2cc1F.CN(C)CCOC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.CN(C)CCOC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]c(=O)[nH]c2cc1F
• InChI: InChI=1S/C32H26FN3O5.C30H24F2N4O6.C29H24ClFN4O4.C29H24F2N6O5/c1-35(2)17-20(37)14-19-13-18(21-7-3-5-9-25(21)34-19)16-36-26-15-24(33)22-11-12-41-31(22)29(26)28(30(36)32(39)40)23-8-4-6-10-27(23)38;1-35(2)8-10-42-29(39)26-24(17-5-3-4-6-23(17)37)25-22(13-20(32)16-7-9-41-27(16)25)36(26)14-15-11-18-21(12-19(15)31)33-30(40)34-28(18)38;1-34(2)8-10-39-29(37)27-25(18-5-3-4-6-24(18)36)26-23(13-20(31)17-7-9-38-28(17)26)35(27)14-16-11-21-22(12-19(16)30)33-15-32-21;1-36(2)7-9-42-28(40)24-22(16-4-3-6-33-26(16)38)23-21(12-19(31)15-5-8-41-25(15)23)37(24)13-14-10-17-20(11-18(14)30)34-29(32)35-27(17)39/h3-9,11-13,15H,10,14,16-17H2,1-2H3,(H,39,40);3-5,7,9,11-13H,6,8,10,14H2,1-2H3,(H2,33,34,38,40);3-5,7,9,11-13,15H,6,8,10,14H2,1-2H3,(H,32,33);3-6,8,10-12H,7,9,13H2,1-2H3,(H,33,38)(H3,32,34,35,39)
• InChIKey: RKFVMLCCFBTWOY-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 481.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.64
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (CID 160649565) is 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is CN(C)CC(=O)Cc1cc(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c2ccccc2n1.CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]c(N)nc2cc1F.CN(C)CCOC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.CN(C)CCOC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]c(=O)[nH]c2cc1F.

What is the InChIKey of 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is RKFVMLCCFBTWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O5.C30H24F2N4O6.C29H24ClFN4O4.C29H24F2N6O5/c1-35(2)17-20(37)14-19-13-18(21-7-3-5-9-25(21)34-19)16-36-26-15-24(33)22-11-12-41-31(22)29(26)28(30(36)32(39)40)23-8-4-6-10-27(23)38;1-35(2)8-10-42-29(39)26-24(17-5-3-4-6-23(17)37)25-22(13-20(32)16-7-9-41-27(16)25)36(26)14-15-11-18-21(12-19(15)31)33-30(40)34-28(18)38;1-34(2)8-10-39-29(37)27-25(18-5-3-4-6-24(18)36)26-23(13-20(31)17-7-9-38-28(17)26)35(27)14-16-11-21-22(12-19(16)30)33-15-32-21;1-36(2)7-9-42-28(40)24-22(16-4-3-6-33-26(16)38)23-21(12-19(31)15-5-8-41-25(15)23)37(24)13-14-10-17-20(11-18(14)30)34-29(32)35-27(17)39/h3-9,11-13,15H,10,14,16-17H2,1-2H3,(H,39,40);3-5,7,9,11-13H,6,8,10,14H2,1-2H3,(H2,33,34,38,40);3-5,7,9,11-13,15H,6,8,10,14H2,1-2H3,(H,32,33);3-6,8,10-12H,7,9,13H2,1-2H3,(H,33,38)(H3,32,34,35,39).

What are the key properties of 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?

2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 2247.64 g/mol, XLogP of 18.62, 29 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 160649565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).