1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C22H23N5O2 — CID 18088550

IUPAC1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1ccc(CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C2CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-25-21(28)18-5-3-4-6-19(18)27-20(23-24-22(25)27)14-26(16-9-10-16)13-15-7-11-17(29-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3
InChIKeyODYKNKHINDSLNJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.75
Rot. Bonds6

About 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 18088550) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID18088550
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1ccc(CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C2CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-25-21(28)18-5-3-4-6-19(18)27-20(23-24-22(25)27)14-26(16-9-10-16)13-15-7-11-17(29-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3
InChIKeyODYKNKHINDSLNJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Related Compounds

1-[[benzyl(cyclopropyl)amino]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60506304
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55382365
1-[[benzyl(ethyl)amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18087361
1-[[benzyl(propan-2-yl)amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18131514
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
1-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51313378
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24522023
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 34390297
4-methyl-1-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18291595
4-methyl-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24618101
1-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60508165
1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17460472

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 18088550) is 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is COc1ccc(CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C2CC2)cc1.
What is the InChIKey of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is ODYKNKHINDSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25-21(28)18-5-3-4-6-19(18)27-20(23-24-22(25)27)14-26(16-9-10-16)13-15-7-11-17(29-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3.
What are the key properties of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 389.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 18088550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).