[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone

C24H23N7O2 — CID 129179405

IUPAC[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc2nc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)ncc12
InChIInChI=1S/C24H23N7O2/c1-33-22-8-4-6-20-19(22)11-25-24(28-20)30-14-16-12-29(13-17(16)15-30)23(32)18-5-2-3-7-21(18)31-26-9-10-27-31/h2-11,16-17H,12-15H2,1H3
InChIKeyYBCNKROXRRFHKG-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.43
Rot. Bonds4

About [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone

[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 129179405) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID129179405
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1cccc2nc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)ncc12
InChIInChI=1S/C24H23N7O2/c1-33-22-8-4-6-20-19(22)11-25-24(28-20)30-14-16-12-29(13-17(16)15-30)23(32)18-5-2-3-7-21(18)31-26-9-10-27-31/h2-11,16-17H,12-15H2,1H3
InChIKeyYBCNKROXRRFHKG-UHFFFAOYSA-N
XLogP2.43
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 129179405) is [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone is COc1cccc2nc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)ncc12.
What is the InChIKey of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is YBCNKROXRRFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-33-22-8-4-6-20-19(22)11-25-24(28-20)30-14-16-12-29(13-17(16)15-30)23(32)18-5-2-3-7-21(18)31-26-9-10-27-31/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 441.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 129179405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).