(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol

C19H15F2N5O — CID 46893390

IUPAC(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-12-4-2-3-5-15(12)22-19(24-18)17(27)11-6-7-13(20)14(21)9-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)
InChIKeyQEYNJNMWBYIISD-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.76
Rot. Bonds4

About (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol

(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol (PubChem CID 46893390) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
PubChem CID46893390
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-12-4-2-3-5-15(12)22-19(24-18)17(27)11-6-7-13(20)14(21)9-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26)
InChIKeyQEYNJNMWBYIISD-UHFFFAOYSA-N
XLogP3.76
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol (CID 46893390) is (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The InChIKey is QEYNJNMWBYIISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-10-8-16(26-25-10)23-18-12-4-2-3-5-15(12)22-19(24-18)17(27)11-6-7-13(20)14(21)9-11/h2-9,17,27H,1H3,(H2,22,23,24,25,26).
What are the key properties of (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
(3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol has a molecular weight of 367.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol is sourced from PubChem (CID 46893390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).