2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C24H27N5O3 — CID 50775089

IUPAC2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCc1ccccc1Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC(C)C)cc3n2c1=O
InChIInChI=1S/C24H27N5O3/c1-14(2)25-21(30)17-10-11-19-20(12-17)29-23(28(15(3)4)22(19)31)26-27(24(29)32)13-18-9-7-6-8-16(18)5/h6-12,14-15H,13H2,1-5H3,(H,25,30)
InChIKeyNGQVDTRMRDDSFO-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50775089) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID50775089
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCc1ccccc1Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC(C)C)cc3n2c1=O
InChIInChI=1S/C24H27N5O3/c1-14(2)25-21(30)17-10-11-19-20(12-17)29-23(28(15(3)4)22(19)31)26-27(24(29)32)13-18-9-7-6-8-16(18)5/h6-12,14-15H,13H2,1-5H3,(H,25,30)
InChIKeyNGQVDTRMRDDSFO-UHFFFAOYSA-N
XLogP2.89
TPSA90.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775185
2-[(2-chlorophenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775090
1,5-dioxo-2-phenacyl-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775359
2-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775228
2-[2-(2-methylanilino)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774775
N-[(2S)-butan-2-yl]-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 30849328
N-butan-2-yl-1,5-dioxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775212
N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774981
N-butan-2-yl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775341
2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775116
4-benzyl-2-[2-(tert-butylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 30849494
2-[2-(2-ethylanilino)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775767

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50775089) is 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is Cc1ccccc1Cn1nc2n(C(C)C)c(=O)c3ccc(C(=O)NC(C)C)cc3n2c1=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The InChIKey is NGQVDTRMRDDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14(2)25-21(30)17-10-11-19-20(12-17)29-23(28(15(3)4)22(19)31)26-27(24(29)32)13-18-9-7-6-8-16(18)5/h6-12,14-15H,13H2,1-5H3,(H,25,30).
What are the key properties of 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-1,5-dioxo-N,4-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50775089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).