2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide

C19H24N6O2 — CID 154876804

IUPAC2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1
InChIInChI=1S/C19H24N6O2/c1-12(2)17(26)20-13-8-9-24(10-13)11-16-21-22-19-23(3)18(27)14-6-4-5-7-15(14)25(16)19/h4-7,12-13H,8-11H2,1-3H3,(H,20,26)/t13-/m1/s1
InChIKeyPYOSGPXRMPFZIW-CYBMUJFWSA-N
MW368.44 g/mol
LogP0.93
Rot. Bonds4

About 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide

2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide (PubChem CID 154876804) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide
PubChem CID154876804
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1
InChIInChI=1S/C19H24N6O2/c1-12(2)17(26)20-13-8-9-24(10-13)11-16-21-22-19-23(3)18(27)14-6-4-5-7-15(14)25(16)19/h4-7,12-13H,8-11H2,1-3H3,(H,20,26)/t13-/m1/s1
InChIKeyPYOSGPXRMPFZIW-CYBMUJFWSA-N
XLogP0.93
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide with MolForge

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Related Compounds

1-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25382269
4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 119919143
1-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 30871671
N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 24519248
1-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]-4-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4852511
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55382365
4-ethyl-1-[(3-hydroxypiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 110879145
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55381616
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 20881105
1-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 47019479
4-methyl-1-[(2-methylphenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60561386
1-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 120775237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide (CID 154876804) is 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide is CC(C)C(=O)N[C@@H]1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1.
What is the InChIKey of 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide?
The InChIKey is PYOSGPXRMPFZIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(2)17(26)20-13-8-9-24(10-13)11-16-21-22-19-23(3)18(27)14-6-4-5-7-15(14)25(16)19/h4-7,12-13H,8-11H2,1-3H3,(H,20,26)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide?
2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-1-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 154876804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).