2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one

C82H77Cl5N12O15Se — CID 157058362

About 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one

2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one (PubChem CID 157058362) has the molecular formula C82H77Cl5N12O15Se and a molecular weight of 1726.81 g/mol. Its IUPAC name is 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one
• PubChem CID: 157058362
• Molecular Formula: C82H77Cl5N12O15Se
• Molecular Weight: 1726.81 g/mol
• Exact Mass: 1724.32
• IUPAC Name: 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one
• SMILES: CC(C)(C)c1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(CO)c(CO)cc23)c(C(N)=O)[se]1.NC(=O)c1cc(CO)c(CO)cc1N.NC(=O)c1cc(CO)c(CO)cc1NC(=O)c1ccc(Cl)cc1.O=c1[nH]c(-c2ccc(Cl)cc2)nc2cc(CO)c(CO)cc12.OCc1cc2nc(-c3ccc(Cl)cc3)nc(Cl)c2cc1CO
• InChI: InChI=1S/C25H25ClN4O3Se.C16H12Cl2N2O2.C16H15ClN2O4.C16H13ClN2O3.C9H12N2O3/c1-25(2,3)20-10-19(21(34-20)22(27)33)29-24-17-8-14(11-31)15(12-32)9-18(17)28-23(30-24)13-4-6-16(26)7-5-13;17-12-3-1-9(2-4-12)16-19-14-6-11(8-22)10(7-21)5-13(14)15(18)20-16;17-12-3-1-9(2-4-12)16(23)19-14-6-11(8-21)10(7-20)5-13(14)15(18)22;17-12-3-1-9(2-4-12)15-18-14-6-11(8-21)10(7-20)5-13(14)16(22)19-15;10-8-2-6(4-13)5(3-12)1-7(8)9(11)14/h4-10,31-32H,11-12H2,1-3H3,(H2,27,33)(H,28,29,30);1-6,21-22H,7-8H2;1-6,20-21H,7-8H2,(H2,18,22)(H,19,23);1-6,20-21H,7-8H2,(H,18,19,22);1-2,12-13H,3-4,10H2,(H2,11,14)
• InChIKey: ABADIVCLLHXBDU-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 496.03 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1726.81
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one?

The IUPAC name of 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one (CID 157058362) is 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one.

What is the SMILES notation for 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one?

The canonical SMILES for 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one is CC(C)(C)c1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(CO)c(CO)cc23)c(C(N)=O)[se]1.NC(=O)c1cc(CO)c(CO)cc1N.NC(=O)c1cc(CO)c(CO)cc1NC(=O)c1ccc(Cl)cc1.O=c1[nH]c(-c2ccc(Cl)cc2)nc2cc(CO)c(CO)cc12.OCc1cc2nc(-c3ccc(Cl)cc3)nc(Cl)c2cc1CO.

What is the InChIKey of 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one?

The InChIKey is ABADIVCLLHXBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3Se.C16H12Cl2N2O2.C16H15ClN2O4.C16H13ClN2O3.C9H12N2O3/c1-25(2,3)20-10-19(21(34-20)22(27)33)29-24-17-8-14(11-31)15(12-32)9-18(17)28-23(30-24)13-4-6-16(26)7-5-13;17-12-3-1-9(2-4-12)16-19-14-6-11(8-22)10(7-21)5-13(14)15(18)20-16;17-12-3-1-9(2-4-12)16(23)19-14-6-11(8-21)10(7-20)5-13(14)15(18)22;17-12-3-1-9(2-4-12)15-18-14-6-11(8-21)10(7-20)5-13(14)16(22)19-15;10-8-2-6(4-13)5(3-12)1-7(8)9(11)14/h4-10,31-32H,11-12H2,1-3H3,(H2,27,33)(H,28,29,30);1-6,21-22H,7-8H2;1-6,20-21H,7-8H2,(H2,18,22)(H,19,23);1-6,20-21H,7-8H2,(H,18,19,22);1-2,12-13H,3-4,10H2,(H2,11,14).

What are the key properties of 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one?

2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one has a molecular weight of 1726.81 g/mol, XLogP of 10.98, 20 rotatable bonds, 17 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4,5-bis(hydroxymethyl)benzamide;5-tert-butyl-3-[[2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]selenophene-2-carboxamide;2-[(4-chlorobenzoyl)amino]-4,5-bis(hydroxymethyl)benzamide;[4-chloro-2-(4-chlorophenyl)-7-(hydroxymethyl)quinazolin-6-yl]methanol;2-(4-chlorophenyl)-6,7-bis(hydroxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 157058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).