bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine

C70H56Cl2F3IN19O8- — CID 157314873

About bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine

bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine (PubChem CID 157314873) has the molecular formula C70H56Cl2F3IN19O8- and a molecular weight of 1546.15 g/mol. Its IUPAC name is bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine.

Molecular Properties

• Compound Name: bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine
• PubChem CID: 157314873
• Molecular Formula: C70H56Cl2F3IN19O8-
• Molecular Weight: 1546.15 g/mol
• Exact Mass: 1544.29
• IUPAC Name: bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine
• SMILES: CC(=O)NCCNC(=O)c1cc(-c2cccc(F)c2)cc2c(N)ncnc12.CC(=O)NCCNC(=O)c1cc(-c2cccc(F)c2)cc2c(N)ncnc12.Nc1ncnc2c(C(=O)O)cc(-c3cccc(F)c3)cc12.Nc1ncnc2c(C(=O)[O-])cc(Cl)cc12.Nc1ncnc2c(I)cc(Cl)cc12
• InChI: InChI=1S/2C19H18FN5O2.C15H10FN3O2.C9H6ClN3O2.C8H5ClIN3/c2*1-11(26)22-5-6-23-19(27)16-9-13(12-3-2-4-14(20)7-12)8-15-17(16)24-10-25-18(15)21;16-10-3-1-2-8(4-10)9-5-11-13(12(6-9)15(20)21)18-7-19-14(11)17;10-4-1-5-7(6(2-4)9(14)15)12-3-13-8(5)11;9-4-1-5-7(6(10)2-4)12-3-13-8(5)11/h2*2-4,7-10H,5-6H2,1H3,(H,22,26)(H,23,27)(H2,21,24,25);1-7H,(H,20,21)(H2,17,18,19);1-3H,(H,14,15)(H2,11,12,13);1-3H,(H2,11,12,13)/p-1
• InChIKey: BDLZABRHOPWGDN-UHFFFAOYSA-M
• XLogP: 9.18
• TPSA: 452.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1546.15
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine?

The IUPAC name of bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine (CID 157314873) is bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine.

What is the SMILES notation for bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine?

The canonical SMILES for bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine is CC(=O)NCCNC(=O)c1cc(-c2cccc(F)c2)cc2c(N)ncnc12.CC(=O)NCCNC(=O)c1cc(-c2cccc(F)c2)cc2c(N)ncnc12.Nc1ncnc2c(C(=O)O)cc(-c3cccc(F)c3)cc12.Nc1ncnc2c(C(=O)[O-])cc(Cl)cc12.Nc1ncnc2c(I)cc(Cl)cc12.

What is the InChIKey of bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine?

The InChIKey is BDLZABRHOPWGDN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C19H18FN5O2.C15H10FN3O2.C9H6ClN3O2.C8H5ClIN3/c2*1-11(26)22-5-6-23-19(27)16-9-13(12-3-2-4-14(20)7-12)8-15-17(16)24-10-25-18(15)21;16-10-3-1-2-8(4-10)9-5-11-13(12(6-9)15(20)21)18-7-19-14(11)17;10-4-1-5-7(6(2-4)9(14)15)12-3-13-8(5)11;9-4-1-5-7(6(10)2-4)12-3-13-8(5)11/h2*2-4,7-10H,5-6H2,1H3,(H,22,26)(H,23,27)(H2,21,24,25);1-7H,(H,20,21)(H2,17,18,19);1-3H,(H,14,15)(H2,11,12,13);1-3H,(H2,11,12,13)/p-1.

What are the key properties of bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine?

bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine has a molecular weight of 1546.15 g/mol, XLogP of 9.18, 13 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine is sourced from PubChem (CID 157314873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).