3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

C98H75Cl2F5N12O16 — CID 162150863

About 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one (PubChem CID 162150863) has the molecular formula C98H75Cl2F5N12O16 and a molecular weight of 1842.64 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
• PubChem CID: 162150863
• Molecular Formula: C98H75Cl2F5N12O16
• Molecular Weight: 1842.64 g/mol
• Exact Mass: 1840.47
• IUPAC Name: 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
• SMILES: O=C(CO)c1ccc2c(=O)n(CCOc3ccccc3)cnc2c1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3cccc4cccnc34)nc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4c(Cl)cccc4Cl)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cccc(F)c3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(CC3CC3)c(=O)c2c1
• InChI: InChI=1S/C27H18F3N3O3.C23H16Cl2N2O3.C18H16N2O4.C17H12F2N2O3.C13H13N3O3/c28-27(29,30)19-9-6-16(7-10-19)14-33-25(21-5-1-3-17-4-2-12-31-24(17)21)32-22-13-18(23(35)15-34)8-11-20(22)26(33)36;24-18-5-2-6-19(25)22(18)16-4-1-3-14(9-16)11-27-13-26-20-8-7-15(21(29)12-28)10-17(20)23(27)30;21-11-17(22)13-6-7-15-16(10-13)19-12-20(18(15)23)8-9-24-14-4-2-1-3-5-14;18-14-3-1-2-12(15(14)19)9-21-7-6-10-4-5-11(16(22)20-24)8-13(10)17(21)23;17-12(15-19)9-3-4-11-10(5-9)13(18)16(7-14-11)6-8-1-2-8/h1-13,34H,14-15H2;1-10,13,28H,11-12H2;1-7,10,12,21H,8-9,11H2;1-8,24H,9H2,(H,20,22);3-5,7-8,19H,1-2,6H2,(H,15,17)
• InChIKey: ZLEOCYBKMIFINN-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 394.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.64
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?

The IUPAC name of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one (CID 162150863) is 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one.

What is the SMILES notation for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?

The canonical SMILES for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one is O=C(CO)c1ccc2c(=O)n(CCOc3ccccc3)cnc2c1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3cccc4cccnc34)nc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4c(Cl)cccc4Cl)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cccc(F)c3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(CC3CC3)c(=O)c2c1.

What is the InChIKey of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?

The InChIKey is ZLEOCYBKMIFINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O3.C23H16Cl2N2O3.C18H16N2O4.C17H12F2N2O3.C13H13N3O3/c28-27(29,30)19-9-6-16(7-10-19)14-33-25(21-5-1-3-17-4-2-12-31-24(17)21)32-22-13-18(23(35)15-34)8-11-20(22)26(33)36;24-18-5-2-6-19(25)22(18)16-4-1-3-14(9-16)11-27-13-26-20-8-7-15(21(29)12-28)10-17(20)23(27)30;21-11-17(22)13-6-7-15-16(10-13)19-12-20(18(15)23)8-9-24-14-4-2-1-3-5-14;18-14-3-1-2-12(15(14)19)9-21-7-6-10-4-5-11(16(22)20-24)8-13(10)17(21)23;17-12(15-19)9-3-4-11-10(5-9)13(18)16(7-14-11)6-8-1-2-8/h1-13,34H,14-15H2;1-10,13,28H,11-12H2;1-7,10,12,21H,8-9,11H2;1-8,24H,9H2,(H,20,22);3-5,7-8,19H,1-2,6H2,(H,15,17).

What are the key properties of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?

3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one has a molecular weight of 1842.64 g/mol, XLogP of 14.47, 22 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;3-[[3-(2,6-dichlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;2-[(2,3-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-3-(2-phenoxyethyl)quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 162150863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).