(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol

C20H18FN5O — CID 46892628

IUPAC(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
SMILESCc1ccc2c(Nc3cc(C)[nH]n3)nc(C(O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H18FN5O/c1-11-3-8-15-16(9-11)22-20(18(27)13-4-6-14(21)7-5-13)24-19(15)23-17-10-12(2)25-26-17/h3-10,18,27H,1-2H3,(H2,22,23,24,25,26)
InChIKeySTYMTGZEUILXLE-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.93
Rot. Bonds4

About (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol

(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol (PubChem CID 46892628) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
PubChem CID46892628
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
SMILESCc1ccc2c(Nc3cc(C)[nH]n3)nc(C(O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H18FN5O/c1-11-3-8-15-16(9-11)22-20(18(27)13-4-6-14(21)7-5-13)24-19(15)23-17-10-12(2)25-26-17/h3-10,18,27H,1-2H3,(H2,22,23,24,25,26)
InChIKeySTYMTGZEUILXLE-UHFFFAOYSA-N
XLogP3.93
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol (CID 46892628) is (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol is Cc1ccc2c(Nc3cc(C)[nH]n3)nc(C(O)c3ccc(F)cc3)nc2c1.
What is the InChIKey of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
The InChIKey is STYMTGZEUILXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-11-3-8-15-16(9-11)22-20(18(27)13-4-6-14(21)7-5-13)24-19(15)23-17-10-12(2)25-26-17/h3-10,18,27H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol?
(4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol has a molecular weight of 363.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol is sourced from PubChem (CID 46892628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).