7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide

C106H113N21O19 — CID 157259542

IUPAC7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide
SMILESCC1(C(=O)Cc2ccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)nc2)CCNCC1.CC1(C(=O)Nc2cc(-n3ccc4ccc(C(=O)NO)cc4c3=O)ccn2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)n2)CCNCC1.O=C(CO)c1ccc2c(=O)[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/2C23H24N4O4.2C22H23N5O4.C16H19N3O3/c1-23(7-9-24-10-8-23)19(28)12-15-2-5-20(25-14-15)27-11-6-16-3-4-17(21(29)26-31)13-18(16)22(27)30;1-23(8-10-24-11-9-23)22(30)25-17-3-2-4-18(14-17)27-12-7-15-5-6-16(20(28)26-31)13-19(15)21(27)29;1-22(6-9-23-10-7-22)21(30)25-18-13-16(4-8-24-18)27-11-5-14-2-3-15(19(28)26-31)12-17(14)20(27)29;1-22(8-10-23-11-9-22)21(30)25-17-3-2-4-18(24-17)27-12-7-14-5-6-15(19(28)26-31)13-16(14)20(27)29;20-9-14(21)11-1-2-12-13(8-11)18-15(19-16(12)22)7-10-3-5-17-6-4-10/h2-6,11,13-14,24,31H,7-10,12H2,1H3,(H,26,29);2-7,12-14,24,31H,8-11H2,1H3,(H,25,30)(H,26,28);2-5,8,11-13,23,31H,6-7,9-10H2,1H3,(H,26,28)(H,24,25,30);2-7,12-13,23,31H,8-11H2,1H3,(H,26,28)(H,24,25,30);1-2,8,10,17,20H,3-7,9H2,(H,18,19,22)
InChIKeyAXHICJPHUSMGBG-UHFFFAOYSA-N
MW1985.20 g/mol
LogP8.75
Rot. Bonds21

About 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide

7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide (PubChem CID 157259542) has the molecular formula C106H113N21O19 and a molecular weight of 1985.20 g/mol. Its IUPAC name is 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide
PubChem CID157259542
Molecular FormulaC106H113N21O19
Molecular Weight1985.20 g/mol
Exact Mass1983.85
IUPAC Name7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide
SMILESCC1(C(=O)Cc2ccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)nc2)CCNCC1.CC1(C(=O)Nc2cc(-n3ccc4ccc(C(=O)NO)cc4c3=O)ccn2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)n2)CCNCC1.O=C(CO)c1ccc2c(=O)[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/2C23H24N4O4.2C22H23N5O4.C16H19N3O3/c1-23(7-9-24-10-8-23)19(28)12-15-2-5-20(25-14-15)27-11-6-16-3-4-17(21(29)26-31)13-18(16)22(27)30;1-23(8-10-24-11-9-23)22(30)25-17-3-2-4-18(14-17)27-12-7-15-5-6-16(20(28)26-31)13-19(15)21(27)29;1-22(6-9-23-10-7-22)21(30)25-18-13-16(4-8-24-18)27-11-5-14-2-3-15(19(28)26-31)12-17(14)20(27)29;1-22(8-10-23-11-9-22)21(30)25-17-3-2-4-18(24-17)27-12-7-14-5-6-15(19(28)26-31)13-16(14)20(27)29;20-9-14(21)11-1-2-12-13(8-11)18-15(19-16(12)22)7-10-3-5-17-6-4-10/h2-6,11,13-14,24,31H,7-10,12H2,1H3,(H,26,29);2-7,12-14,24,31H,8-11H2,1H3,(H,25,30)(H,26,28);2-5,8,11-13,23,31H,6-7,9-10H2,1H3,(H,26,28)(H,24,25,30);2-7,12-13,23,31H,8-11H2,1H3,(H,26,28)(H,24,25,30);1-2,8,10,17,20H,3-7,9H2,(H,18,19,22)
InChIKeyAXHICJPHUSMGBG-UHFFFAOYSA-N
XLogP8.75
TPSA571.56 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.20
LogP ≤ 58.75
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide?
The IUPAC name of 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide (CID 157259542) is 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide.
What is the SMILES notation for 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide?
The canonical SMILES for 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide is CC1(C(=O)Cc2ccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)nc2)CCNCC1.CC1(C(=O)Nc2cc(-n3ccc4ccc(C(=O)NO)cc4c3=O)ccn2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CCNCC1.CC1(C(=O)Nc2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)n2)CCNCC1.O=C(CO)c1ccc2c(=O)[nH]c(CC3CCNCC3)nc2c1.
What is the InChIKey of 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide?
The InChIKey is AXHICJPHUSMGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24N4O4.2C22H23N5O4.C16H19N3O3/c1-23(7-9-24-10-8-23)19(28)12-15-2-5-20(25-14-15)27-11-6-16-3-4-17(21(29)26-31)13-18(16)22(27)30;1-23(8-10-24-11-9-23)22(30)25-17-3-2-4-18(14-17)27-12-7-15-5-6-16(20(28)26-31)13-19(15)21(27)29;1-22(6-9-23-10-7-22)21(30)25-18-13-16(4-8-24-18)27-11-5-14-2-3-15(19(28)26-31)12-17(14)20(27)29;1-22(8-10-23-11-9-22)21(30)25-17-3-2-4-18(24-17)27-12-7-14-5-6-15(19(28)26-31)13-16(14)20(27)29;20-9-14(21)11-1-2-12-13(8-11)18-15(19-16(12)22)7-10-3-5-17-6-4-10/h2-6,11,13-14,24,31H,7-10,12H2,1H3,(H,26,29);2-7,12-14,24,31H,8-11H2,1H3,(H,25,30)(H,26,28);2-5,8,11-13,23,31H,6-7,9-10H2,1H3,(H,26,28)(H,24,25,30);2-7,12-13,23,31H,8-11H2,1H3,(H,26,28)(H,24,25,30);1-2,8,10,17,20H,3-7,9H2,(H,18,19,22).
What are the key properties of 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide?
7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide has a molecular weight of 1985.20 g/mol, XLogP of 8.75, 21 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyacetyl)-2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one;N-hydroxy-2-[3-[(4-methylpiperidine-4-carbonyl)amino]phenyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[2-[(4-methylpiperidine-4-carbonyl)amino]-4-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[6-[(4-methylpiperidine-4-carbonyl)amino]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[5-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]-2-pyridinyl]-1-oxoisoquinoline-7-carboxamide is sourced from PubChem (CID 157259542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).