1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol

C23H26N4O2 — CID 43818313

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2ccco2)Cc2cccc3cccnc23)n1
InChIInChI=1S/C23H26N4O2/c1-17-12-18(2)27(25-17)15-21(28)14-26(16-22-9-5-11-29-22)13-20-7-3-6-19-8-4-10-24-23(19)20/h3-12,21,28H,13-16H2,1-2H3
InChIKeyYLKQRYSVJARCFK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.70
Rot. Bonds8

About 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol (PubChem CID 43818313) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
PubChem CID43818313
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2ccco2)Cc2cccc3cccnc23)n1
InChIInChI=1S/C23H26N4O2/c1-17-12-18(2)27(25-17)15-21(28)14-26(16-22-9-5-11-29-22)13-20-7-3-6-19-8-4-10-24-23(19)20/h3-12,21,28H,13-16H2,1-2H3
InChIKeyYLKQRYSVJARCFK-UHFFFAOYSA-N
XLogP3.70
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol (CID 43818313) is 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol is Cc1cc(C)n(CC(O)CN(Cc2ccco2)Cc2cccc3cccnc23)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol?
The InChIKey is YLKQRYSVJARCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-12-18(2)27(25-17)15-21(28)14-26(16-22-9-5-11-29-22)13-20-7-3-6-19-8-4-10-24-23(19)20/h3-12,21,28H,13-16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol has a molecular weight of 390.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 43818313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).