2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide

C106H89F5N14O20 — CID 160585942

IUPAC2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
SMILESCCOCCn1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccc(-n2ccc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccc(C(F)(F)F)c(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3F)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C22H18N4O3.C19H15F3N2O3.C17H12F2N2O3.C17H14N2O4.C17H14N2O3.C14H16N2O4/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16;1-11-2-5-16(19(20,21)22)14(8-11)10-24-7-6-12-3-4-13(17(25)23-27)9-15(12)18(24)26;18-13-4-3-12(15(19)8-13)9-21-6-5-10-1-2-11(16(22)20-24)7-14(10)17(21)23;1-23-14-6-4-13(5-7-14)19-9-8-11-2-3-12(16(20)18-22)10-15(11)17(19)21;20-16(18-22)14-7-6-13-8-9-19(17(21)15(13)10-14)11-12-4-2-1-3-5-12;1-2-20-8-7-16-6-5-10-3-4-11(13(17)15-19)9-12(10)14(16)18/h1-7,9-10,12-14,29H,8,11H2,(H,25,27);2-9,27H,10H2,1H3,(H,23,25);1-8,24H,9H2,(H,20,22);2-10,22H,1H3,(H,18,20);1-10,22H,11H2,(H,18,20);3-6,9,19H,2,7-8H2,1H3,(H,15,17)
InChIKeyRCJSTALKOWZPNZ-UHFFFAOYSA-N
MW1973.95 g/mol
LogP14.21
Rot. Bonds22

About 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide

2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide (PubChem CID 160585942) has the molecular formula C106H89F5N14O20 and a molecular weight of 1973.95 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
PubChem CID160585942
Molecular FormulaC106H89F5N14O20
Molecular Weight1973.95 g/mol
Exact Mass1972.63
IUPAC Name2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
SMILESCCOCCn1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccc(-n2ccc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccc(C(F)(F)F)c(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3F)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C22H18N4O3.C19H15F3N2O3.C17H12F2N2O3.C17H14N2O4.C17H14N2O3.C14H16N2O4/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16;1-11-2-5-16(19(20,21)22)14(8-11)10-24-7-6-12-3-4-13(17(25)23-27)9-15(12)18(24)26;18-13-4-3-12(15(19)8-13)9-21-6-5-10-1-2-11(16(22)20-24)7-14(10)17(21)23;1-23-14-6-4-13(5-7-14)19-9-8-11-2-3-12(16(20)18-22)10-15(11)17(19)21;20-16(18-22)14-7-6-13-8-9-19(17(21)15(13)10-14)11-12-4-2-1-3-5-12;1-2-20-8-7-16-6-5-10-3-4-11(13(17)15-19)9-12(10)14(16)18/h1-7,9-10,12-14,29H,8,11H2,(H,25,27);2-9,27H,10H2,1H3,(H,23,25);1-8,24H,9H2,(H,20,22);2-10,22H,1H3,(H,18,20);1-10,22H,11H2,(H,18,20);3-6,9,19H,2,7-8H2,1H3,(H,15,17)
InChIKeyRCJSTALKOWZPNZ-UHFFFAOYSA-N
XLogP14.21
TPSA472.22 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.95
LogP ≤ 514.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The IUPAC name of 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide (CID 160585942) is 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The canonical SMILES for 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide is CCOCCn1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccc(-n2ccc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccc(C(F)(F)F)c(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3F)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1.
What is the InChIKey of 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The InChIKey is RCJSTALKOWZPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3.C19H15F3N2O3.C17H12F2N2O3.C17H14N2O4.C17H14N2O3.C14H16N2O4/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16;1-11-2-5-16(19(20,21)22)14(8-11)10-24-7-6-12-3-4-13(17(25)23-27)9-15(12)18(24)26;18-13-4-3-12(15(19)8-13)9-21-6-5-10-1-2-11(16(22)20-24)7-14(10)17(21)23;1-23-14-6-4-13(5-7-14)19-9-8-11-2-3-12(16(20)18-22)10-15(11)17(19)21;20-16(18-22)14-7-6-13-8-9-19(17(21)15(13)10-14)11-12-4-2-1-3-5-12;1-2-20-8-7-16-6-5-10-3-4-11(13(17)15-19)9-12(10)14(16)18/h1-7,9-10,12-14,29H,8,11H2,(H,25,27);2-9,27H,10H2,1H3,(H,23,25);1-8,24H,9H2,(H,20,22);2-10,22H,1H3,(H,18,20);1-10,22H,11H2,(H,18,20);3-6,9,19H,2,7-8H2,1H3,(H,15,17).
What are the key properties of 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide has a molecular weight of 1973.95 g/mol, XLogP of 14.21, 22 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(2-ethoxyethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide is sourced from PubChem (CID 160585942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).