N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C23H23N5O3 — CID 50757519

IUPACN-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CCCCC4)cc23)cc1
InChIInChI=1S/C23H23N5O3/c1-31-17-10-7-14(8-11-17)20-21-25-23(30)18-12-9-15(13-19(18)28(21)27-26-20)22(29)24-16-5-3-2-4-6-16/h7-13,16,27H,2-6H2,1H3,(H,24,29)
InChIKeyUIBIASFXYQACSG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.31
Rot. Bonds4

About N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757519) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID50757519
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CCCCC4)cc23)cc1
InChIInChI=1S/C23H23N5O3/c1-31-17-10-7-14(8-11-17)20-21-25-23(30)18-12-9-15(13-19(18)28(21)27-26-20)22(29)24-16-5-3-2-4-6-16/h7-13,16,27H,2-6H2,1H3,(H,24,29)
InChIKeyUIBIASFXYQACSG-UHFFFAOYSA-N
XLogP3.31
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757462
N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757527
3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498841
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cycloheptyl-3-methoxy-2-methylindazole-6-carboxamide
CID 90609130
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cycloheptyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270576
3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one
CID 71764026

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757519) is N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NC4CCCCC4)cc23)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is UIBIASFXYQACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-31-17-10-7-14(8-11-17)20-21-25-23(30)18-12-9-15(13-19(18)28(21)27-26-20)22(29)24-16-5-3-2-4-6-16/h7-13,16,27H,2-6H2,1H3,(H,24,29).
What are the key properties of N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).