N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide

C24H20F3N5O3 — CID 88883095

IUPACN-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cc(NC(=O)c3cc(-c4cnn(C)c4)cc(C(F)(F)F)c3)cc2cc1C(=O)NO
InChIInChI=1S/C24H20F3N5O3/c1-12-4-19(8-15-9-20(23(34)31-35)13(2)29-21(12)15)30-22(33)16-5-14(17-10-28-32(3)11-17)6-18(7-16)24(25,26)27/h4-11,35H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGVXYMBNDUBLIFD-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.64
Rot. Bonds4

About N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide

N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide (PubChem CID 88883095) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide
PubChem CID88883095
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC NameN-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cc(NC(=O)c3cc(-c4cnn(C)c4)cc(C(F)(F)F)c3)cc2cc1C(=O)NO
InChIInChI=1S/C24H20F3N5O3/c1-12-4-19(8-15-9-20(23(34)31-35)13(2)29-21(12)15)30-22(33)16-5-14(17-10-28-32(3)11-17)6-18(7-16)24(25,26)27/h4-11,35H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGVXYMBNDUBLIFD-UHFFFAOYSA-N
XLogP4.64
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 87094591
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 176503649
4-methyl-3-[[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174745
2-fluoro-4-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]benzamide
CID 156840694
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 167957425
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide (CID 88883095) is N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide is Cc1nc2c(C)cc(NC(=O)c3cc(-c4cnn(C)c4)cc(C(F)(F)F)c3)cc2cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide?
The InChIKey is GVXYMBNDUBLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-12-4-19(8-15-9-20(23(34)31-35)13(2)29-21(12)15)30-22(33)16-5-14(17-10-28-32(3)11-17)6-18(7-16)24(25,26)27/h4-11,35H,1-3H3,(H,30,33)(H,31,34).
What are the key properties of N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide?
N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 88883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).