4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide

C112H101N19O19 — CID 158915382

IUPAC4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide
SMILESCCN1CCC(C(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c2ccccc2)CC1.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.NCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc(-c4ccncc4)c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccnc3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(CCc3ccccc3)nc2c1
InChIInChI=1S/C25H30N4O3.C21H15N3O3.C18H17N3O3.C18H16N2O3.C15H12N4O4.C15H11N3O3/c1-2-28-13-10-19(11-14-28)21(18-6-4-3-5-7-18)12-15-29-17-26-23-9-8-20(24(30)27-32)16-22(23)25(29)31;25-12-19(26)15-4-5-17-18(11-15)23-20(24-21(17)27)16-3-1-2-14(10-16)13-6-8-22-9-7-13;19-9-14-11-21(10-12-4-2-1-3-5-12)18(23)16-8-13(17(22)20-24)6-7-15(14)16;21-11-16(22)13-7-8-14-15(10-13)19-17(20-18(14)23)9-6-12-4-2-1-3-5-12;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;19-8-13(20)9-3-4-11-12(6-9)17-14(18-15(11)21)10-2-1-5-16-7-10/h3-9,16-17,19,21,32H,2,10-15H2,1H3,(H,27,30);1-11,25H,12H2,(H,23,24,27);1-8,11,24H,9-10,19H2,(H,20,22);1-5,7-8,10,21H,6,9,11H2,(H,19,20,23);2-7,22H,1H3,(H,19,20)(H,17,18,21);1-7,19H,8H2,(H,17,18,21)
InChIKeyJHDXRYUUXZHONH-UHFFFAOYSA-N
MW2017.15 g/mol
LogP12.03
Rot. Bonds26

About 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide

4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 158915382) has the molecular formula C112H101N19O19 and a molecular weight of 2017.15 g/mol. Its IUPAC name is 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID158915382
Molecular FormulaC112H101N19O19
Molecular Weight2017.15 g/mol
Exact Mass2015.75
IUPAC Name4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide
SMILESCCN1CCC(C(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c2ccccc2)CC1.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.NCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc(-c4ccncc4)c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccnc3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(CCc3ccccc3)nc2c1
InChIInChI=1S/C25H30N4O3.C21H15N3O3.C18H17N3O3.C18H16N2O3.C15H12N4O4.C15H11N3O3/c1-2-28-13-10-19(11-14-28)21(18-6-4-3-5-7-18)12-15-29-17-26-23-9-8-20(24(30)27-32)16-22(23)25(29)31;25-12-19(26)15-4-5-17-18(11-15)23-20(24-21(17)27)16-3-1-2-14(10-16)13-6-8-22-9-7-13;19-9-14-11-21(10-12-4-2-1-3-5-12)18(23)16-8-13(17(22)20-24)6-7-15(14)16;21-11-16(22)13-7-8-14-15(10-13)19-17(20-18(14)23)9-6-12-4-2-1-3-5-12;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;19-8-13(20)9-3-4-11-12(6-9)17-14(18-15(11)21)10-2-1-5-16-7-10/h3-9,16-17,19,21,32H,2,10-15H2,1H3,(H,27,30);1-11,25H,12H2,(H,23,24,27);1-8,11,24H,9-10,19H2,(H,20,22);1-5,7-8,10,21H,6,9,11H2,(H,19,20,23);2-7,22H,1H3,(H,19,20)(H,17,18,21);1-7,19H,8H2,(H,17,18,21)
InChIKeyJHDXRYUUXZHONH-UHFFFAOYSA-N
XLogP12.03
TPSA576.94 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002017.15
LogP ≤ 512.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide (CID 158915382) is 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide is CCN1CCC(C(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c2ccccc2)CC1.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.NCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc(-c4ccncc4)c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccnc3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(CCc3ccccc3)nc2c1.
What is the InChIKey of 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is JHDXRYUUXZHONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C21H15N3O3.C18H17N3O3.C18H16N2O3.C15H12N4O4.C15H11N3O3/c1-2-28-13-10-19(11-14-28)21(18-6-4-3-5-7-18)12-15-29-17-26-23-9-8-20(24(30)27-32)16-22(23)25(29)31;25-12-19(26)15-4-5-17-18(11-15)23-20(24-21(17)27)16-3-1-2-14(10-16)13-6-8-22-9-7-13;19-9-14-11-21(10-12-4-2-1-3-5-12)18(23)16-8-13(17(22)20-24)6-7-15(14)16;21-11-16(22)13-7-8-14-15(10-13)19-17(20-18(14)23)9-6-12-4-2-1-3-5-12;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;19-8-13(20)9-3-4-11-12(6-9)17-14(18-15(11)21)10-2-1-5-16-7-10/h3-9,16-17,19,21,32H,2,10-15H2,1H3,(H,27,30);1-11,25H,12H2,(H,23,24,27);1-8,11,24H,9-10,19H2,(H,20,22);1-5,7-8,10,21H,6,9,11H2,(H,19,20,23);2-7,22H,1H3,(H,19,20)(H,17,18,21);1-7,19H,8H2,(H,17,18,21).
What are the key properties of 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide?
4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 2017.15 g/mol, XLogP of 12.03, 26 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[3-(1-ethylpiperidin-4-yl)-3-phenylpropyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-(2-phenylethyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-pyridin-3-yl-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 158915382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).