N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide

C24H24N4O3 — CID 69454933

IUPACN-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)c(O)cc12
InChIInChI=1S/C24H24N4O3/c1-14-11-22-26-27-24(31)28(22)20-12-19(21(29)13-18(14)20)15-7-9-16(10-8-15)23(30)25-17-5-3-2-4-6-17/h7-13,17,29H,2-6H2,1H3,(H,25,30)(H,27,31)
InChIKeyPYVIRTDGURZDBX-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.92
Rot. Bonds3

About N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide

N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide (PubChem CID 69454933) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
PubChem CID69454933
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)c(O)cc12
InChIInChI=1S/C24H24N4O3/c1-14-11-22-26-27-24(31)28(22)20-12-19(21(29)13-18(14)20)15-7-9-16(10-8-15)23(30)25-17-5-3-2-4-6-17/h7-13,17,29H,2-6H2,1H3,(H,25,30)(H,27,31)
InChIKeyPYVIRTDGURZDBX-UHFFFAOYSA-N
XLogP3.92
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 22425034
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cyclobutyl-4-methylbenzamide
CID 23530676
8-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-methoxyphenyl]-7-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452076
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
CID 91262051
7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283149
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-cyclopropyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112707994

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide (CID 69454933) is N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide is Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)c(O)cc12.
What is the InChIKey of N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide?
The InChIKey is PYVIRTDGURZDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-11-22-26-27-24(31)28(22)20-12-19(21(29)13-18(14)20)15-7-9-16(10-8-15)23(30)25-17-5-3-2-4-6-17/h7-13,17,29H,2-6H2,1H3,(H,25,30)(H,27,31).
What are the key properties of N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide?
N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(7-hydroxy-5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide is sourced from PubChem (CID 69454933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).