4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol

C19H17N5O2 — CID 162423119

IUPAC4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
SMILESCOc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23)
InChIKeyGNVJDFYURAVLOR-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.49
Rot. Bonds4

About 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol

4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol (PubChem CID 162423119) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol.

Molecular Properties

Compound Name4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
PubChem CID162423119
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
SMILESCOc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23)
InChIKeyGNVJDFYURAVLOR-UHFFFAOYSA-N
XLogP3.49
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol?
The IUPAC name of 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol (CID 162423119) is 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol.
What is the SMILES notation for 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol?
The canonical SMILES for 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol is COc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol?
The InChIKey is GNVJDFYURAVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23).
What are the key properties of 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol?
4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol has a molecular weight of 347.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol is sourced from PubChem (CID 162423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).