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

C25H21N5O2 — CID 45498827

IUPAC3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(=O)nc4c(-c5ccc(C)cc5)n[nH]n4c3c2)cc1
InChIInChI=1S/C25H21N5O2/c1-15-3-7-17(8-4-15)14-26-24(31)19-11-12-20-21(13-19)30-23(27-25(20)32)22(28-29-30)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,31)
InChIKeyJJUACKJYMLHAAT-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.78
Rot. Bonds4

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

3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 45498827) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID45498827
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(=O)nc4c(-c5ccc(C)cc5)n[nH]n4c3c2)cc1
InChIInChI=1S/C25H21N5O2/c1-15-3-7-17(8-4-15)14-26-24(31)19-11-12-20-21(13-19)30-23(27-25(20)32)22(28-29-30)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,31)
InChIKeyJJUACKJYMLHAAT-UHFFFAOYSA-N
XLogP3.78
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498832
3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274665
N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757545
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274663
3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757512
N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757461
3-(4-fluorophenyl)-N-(3-methylbutyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757500
3-(4-chlorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498833
5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757534
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504
3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757550
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 45498827) is 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(=O)nc4c(-c5ccc(C)cc5)n[nH]n4c3c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is JJUACKJYMLHAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-15-3-7-17(8-4-15)14-26-24(31)19-11-12-20-21(13-19)30-23(27-25(20)32)22(28-29-30)18-9-5-16(2)6-10-18/h3-13,29H,14H2,1-2H3,(H,26,31).
What are the key properties of 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 45498827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).