8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one

C22H22N6O2 — CID 46685317

IUPAC8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCCC3c3nnc4ccccn34)cnc12
InChIInChI=1S/C22H22N6O2/c1-15-6-4-7-16-20(15)23-14-26(22(16)30)13-10-19(29)27-12-5-8-17(27)21-25-24-18-9-2-3-11-28(18)21/h2-4,6-7,9,11,14,17H,5,8,10,12-13H2,1H3
InChIKeyNXMDNKRTSAZFGM-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.50
Rot. Bonds4

About 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one

8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one (PubChem CID 46685317) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
PubChem CID46685317
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCCC3c3nnc4ccccn34)cnc12
InChIInChI=1S/C22H22N6O2/c1-15-6-4-7-16-20(15)23-14-26(22(16)30)13-10-19(29)27-12-5-8-17(27)21-25-24-18-9-2-3-11-28(18)21/h2-4,6-7,9,11,14,17H,5,8,10,12-13H2,1H3
InChIKeyNXMDNKRTSAZFGM-UHFFFAOYSA-N
XLogP2.50
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347
3-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 34467348
1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
CID 51926193
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606
3-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 94486962
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
2-[3-oxo-3-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135910568
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 38717084
N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
CID 24612298
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one (CID 46685317) is 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one is Cc1cccc2c(=O)n(CCC(=O)N3CCCC3c3nnc4ccccn34)cnc12.
What is the InChIKey of 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one?
The InChIKey is NXMDNKRTSAZFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15-6-4-7-16-20(15)23-14-26(22(16)30)13-10-19(29)27-12-5-8-17(27)21-25-24-18-9-2-3-11-28(18)21/h2-4,6-7,9,11,14,17H,5,8,10,12-13H2,1H3.
What are the key properties of 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one?
8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one has a molecular weight of 402.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 46685317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).