8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol

C30H38N4O2 — CID 157026585

IUPAC8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol
SMILESCC(C)c1ccc([C@](O)(c2cnnc(CCC3(O)CCCc4cccnc43)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C30H38N4O2/c1-21(2)22-9-11-24(12-10-22)30(36,28(3)19-34(4)20-28)25-17-26(33-32-18-25)13-15-29(35)14-5-7-23-8-6-16-31-27(23)29/h6,8-12,16-18,21,35-36H,5,7,13-15,19-20H2,1-4H3/t29?,30-/m0/s1
InChIKeyJYTPVFWVWUVIOG-ZSXSBBPPSA-N
MW486.66 g/mol
LogP4.34
Rot. Bonds7

About 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol

8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol (PubChem CID 157026585) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol.

Molecular Properties

Compound Name8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol
PubChem CID157026585
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol
SMILESCC(C)c1ccc([C@](O)(c2cnnc(CCC3(O)CCCc4cccnc43)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C30H38N4O2/c1-21(2)22-9-11-24(12-10-22)30(36,28(3)19-34(4)20-28)25-17-26(33-32-18-25)13-15-29(35)14-5-7-23-8-6-16-31-27(23)29/h6,8-12,16-18,21,35-36H,5,7,13-15,19-20H2,1-4H3/t29?,30-/m0/s1
InChIKeyJYTPVFWVWUVIOG-ZSXSBBPPSA-N
XLogP4.34
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol?
The IUPAC name of 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol (CID 157026585) is 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol.
What is the SMILES notation for 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol?
The canonical SMILES for 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol is CC(C)c1ccc([C@](O)(c2cnnc(CCC3(O)CCCc4cccnc43)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol?
The InChIKey is JYTPVFWVWUVIOG-ZSXSBBPPSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-21(2)22-9-11-24(12-10-22)30(36,28(3)19-34(4)20-28)25-17-26(33-32-18-25)13-15-29(35)14-5-7-23-8-6-16-31-27(23)29/h6,8-12,16-18,21,35-36H,5,7,13-15,19-20H2,1-4H3/t29?,30-/m0/s1.
What are the key properties of 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol?
8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol has a molecular weight of 486.66 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridazin-3-yl]ethyl]-6,7-dihydro-5H-quinolin-8-ol is sourced from PubChem (CID 157026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).