6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol

C20H21N5O — CID 136607493

IUPAC6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol
SMILESCN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1
InChIInChI=1S/C20H21N5O/c1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h2-8,14-15,26H,9-12H2,1H3/t14-,15+
InChIKeyZGLNAKXVXDWBKZ-GASCZTMLSA-N
MW347.42 g/mol
LogP2.40
Rot. Bonds2

About 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol

6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607493) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607493
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol
SMILESCN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1
InChIInChI=1S/C20H21N5O/c1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h2-8,14-15,26H,9-12H2,1H3/t14-,15+
InChIKeyZGLNAKXVXDWBKZ-GASCZTMLSA-N
XLogP2.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol (CID 136607493) is 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol is CN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1.
What is the InChIKey of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is ZGLNAKXVXDWBKZ-GASCZTMLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h2-8,14-15,26H,9-12H2,1H3/t14-,15+.
What are the key properties of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol?
6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 347.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).