2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide

C93H86F3N15O16 — CID 158156837

IUPAC2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide
SMILESCc1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(C3CCCC3)nc2c1.O=C(NO)c1ccc2ccn(C3CCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3cccc(-n4cccn4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3ccccn3)c(=O)c2c1
InChIInChI=1S/C23H21F3N2O3.C22H20N4O3.C17H15N3O4.C16H14N4O3.C15H16N2O3/c24-23(25,26)17-8-5-14(6-9-17)12-28-21(15-3-1-2-4-15)27-19-11-16(20(30)13-29)7-10-18(19)22(28)31;27-21(24-29)18-8-7-17-9-13-25(22(28)20(17)15-18)11-2-5-16-4-1-6-19(14-16)26-12-3-10-23-26;1-10-3-2-4-12(7-10)24-9-15-18-14-8-11(16(21)20-23)5-6-13(14)17(22)19-15;21-15(19-23)11-4-5-14-13(9-11)16(22)20(10-18-14)8-6-12-3-1-2-7-17-12;18-14(16-20)11-6-5-10-7-8-17(12-3-1-2-4-12)15(19)13(10)9-11/h5-11,15,29H,1-4,12-13H2;1,3-4,6-10,12-15,29H,2,5,11H2,(H,24,27);2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);1-5,7,9-10,23H,6,8H2,(H,19,21);5-9,12,20H,1-4H2,(H,16,18)
InChIKeyFVUGBSAPTRSXJS-UHFFFAOYSA-N
MW1726.79 g/mol
LogP12.55
Rot. Bonds21

About 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide

2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide (PubChem CID 158156837) has the molecular formula C93H86F3N15O16 and a molecular weight of 1726.79 g/mol. Its IUPAC name is 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide
PubChem CID158156837
Molecular FormulaC93H86F3N15O16
Molecular Weight1726.79 g/mol
Exact Mass1725.63
IUPAC Name2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide
SMILESCc1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(C3CCCC3)nc2c1.O=C(NO)c1ccc2ccn(C3CCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3cccc(-n4cccn4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3ccccn3)c(=O)c2c1
InChIInChI=1S/C23H21F3N2O3.C22H20N4O3.C17H15N3O4.C16H14N4O3.C15H16N2O3/c24-23(25,26)17-8-5-14(6-9-17)12-28-21(15-3-1-2-4-15)27-19-11-16(20(30)13-29)7-10-18(19)22(28)31;27-21(24-29)18-8-7-17-9-13-25(22(28)20(17)15-18)11-2-5-16-4-1-6-19(14-16)26-12-3-10-23-26;1-10-3-2-4-12(7-10)24-9-15-18-14-8-11(16(21)20-23)5-6-13(14)17(22)19-15;21-15(19-23)11-4-5-14-13(9-11)16(22)20(10-18-14)8-6-12-3-1-2-7-17-12;18-14(16-20)11-6-5-10-7-8-17(12-3-1-2-4-12)15(19)13(10)9-11/h5-11,15,29H,1-4,12-13H2;1,3-4,6-10,12-15,29H,2,5,11H2,(H,24,27);2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);1-5,7,9-10,23H,6,8H2,(H,19,21);5-9,12,20H,1-4H2,(H,16,18)
InChIKeyFVUGBSAPTRSXJS-UHFFFAOYSA-N
XLogP12.55
TPSA434.09 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.79
LogP ≤ 512.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide?
The IUPAC name of 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide (CID 158156837) is 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide.
What is the SMILES notation for 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide?
The canonical SMILES for 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide is Cc1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(C3CCCC3)nc2c1.O=C(NO)c1ccc2ccn(C3CCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3cccc(-n4cccn4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CCc3ccccn3)c(=O)c2c1.
What is the InChIKey of 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide?
The InChIKey is FVUGBSAPTRSXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3.C22H20N4O3.C17H15N3O4.C16H14N4O3.C15H16N2O3/c24-23(25,26)17-8-5-14(6-9-17)12-28-21(15-3-1-2-4-15)27-19-11-16(20(30)13-29)7-10-18(19)22(28)31;27-21(24-29)18-8-7-17-9-13-25(22(28)20(17)15-18)11-2-5-16-4-1-6-19(14-16)26-12-3-10-23-26;1-10-3-2-4-12(7-10)24-9-15-18-14-8-11(16(21)20-23)5-6-13(14)17(22)19-15;21-15(19-23)11-4-5-14-13(9-11)16(22)20(10-18-14)8-6-12-3-1-2-7-17-12;18-14(16-20)11-6-5-10-7-8-17(12-3-1-2-4-12)15(19)13(10)9-11/h5-11,15,29H,1-4,12-13H2;1,3-4,6-10,12-15,29H,2,5,11H2,(H,24,27);2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);1-5,7,9-10,23H,6,8H2,(H,19,21);5-9,12,20H,1-4H2,(H,16,18).
What are the key properties of 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide?
2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide has a molecular weight of 1726.79 g/mol, XLogP of 12.55, 21 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-(2-hydroxyacetyl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;2-cyclopentyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-2-[(3-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-[3-(3-pyrazol-1-ylphenyl)propyl]isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-(2-pyridin-2-ylethyl)quinazoline-6-carboxamide is sourced from PubChem (CID 158156837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).