[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol

C18H16N6O2 — CID 23160263

IUPAC[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1
InChIInChI=1S/C18H16N6O2/c1-24-8-6-16(23-24)22-17-14-9-13(4-5-15(14)20-11-21-17)26-18-12(10-25)3-2-7-19-18/h2-9,11,25H,10H2,1H3,(H,20,21,22,23)
InChIKeyUVCGNRRZRNVRSI-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.79
Rot. Bonds5

About [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol

[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol (PubChem CID 23160263) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol
PubChem CID23160263
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1
InChIInChI=1S/C18H16N6O2/c1-24-8-6-16(23-24)22-17-14-9-13(4-5-15(14)20-11-21-17)26-18-12(10-25)3-2-7-19-18/h2-9,11,25H,10H2,1H3,(H,20,21,22,23)
InChIKeyUVCGNRRZRNVRSI-UHFFFAOYSA-N
XLogP2.79
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol?
The IUPAC name of [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol (CID 23160263) is [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol.
What is the SMILES notation for [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol?
The canonical SMILES for [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol is Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1.
What is the InChIKey of [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol?
The InChIKey is UVCGNRRZRNVRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-24-8-6-16(23-24)22-17-14-9-13(4-5-15(14)20-11-21-17)26-18-12(10-25)3-2-7-19-18/h2-9,11,25H,10H2,1H3,(H,20,21,22,23).
What are the key properties of [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol?
[2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol has a molecular weight of 348.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]methanol is sourced from PubChem (CID 23160263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).