6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol

C22H19FN4O — CID 155728488

IUPAC6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
SMILESCc1ccc(C(C)Nc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H19FN4O/c1-13-3-4-16(11-24-13)14(2)27-22-19-9-17(15-5-7-18(23)8-6-15)10-20(28)21(19)25-12-26-22/h3-12,14,28H,1-2H3,(H,25,26,27)
InChIKeyCOJCGGQJBFFLHE-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.02
Rot. Bonds4

About 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol

6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol (PubChem CID 155728488) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
PubChem CID155728488
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
SMILESCc1ccc(C(C)Nc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H19FN4O/c1-13-3-4-16(11-24-13)14(2)27-22-19-9-17(15-5-7-18(23)8-6-15)10-20(28)21(19)25-12-26-22/h3-12,14,28H,1-2H3,(H,25,26,27)
InChIKeyCOJCGGQJBFFLHE-UHFFFAOYSA-N
XLogP5.02
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol?
The IUPAC name of 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol (CID 155728488) is 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol?
The canonical SMILES for 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol is Cc1ccc(C(C)Nc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)cn1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol?
The InChIKey is COJCGGQJBFFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-3-4-16(11-24-13)14(2)27-22-19-9-17(15-5-7-18(23)8-6-15)10-20(28)21(19)25-12-26-22/h3-12,14,28H,1-2H3,(H,25,26,27).
What are the key properties of 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol?
6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol has a molecular weight of 374.42 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol is sourced from PubChem (CID 155728488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).