6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C22H18F2N4O — CID 71151333

IUPAC6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1cc(-c2ccc(F)cc2F)cc2c(NC)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H18F2N4O/c1-3-29-19-10-14(16-7-6-15(23)11-18(16)24)9-17-20(19)27-21(28-22(17)25-2)13-5-4-8-26-12-13/h4-12H,3H2,1-2H3,(H,25,27,28)
InChIKeyAYKCPVYUOMMEOS-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.08
Rot. Bonds5

About 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71151333) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71151333
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1cc(-c2ccc(F)cc2F)cc2c(NC)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H18F2N4O/c1-3-29-19-10-14(16-7-6-15(23)11-18(16)24)9-17-20(19)27-21(28-22(17)25-2)13-5-4-8-26-12-13/h4-12H,3H2,1-2H3,(H,25,27,28)
InChIKeyAYKCPVYUOMMEOS-UHFFFAOYSA-N
XLogP5.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71151333) is 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CCOc1cc(-c2ccc(F)cc2F)cc2c(NC)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AYKCPVYUOMMEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-3-29-19-10-14(16-7-6-15(23)11-18(16)24)9-17-20(19)27-21(28-22(17)25-2)13-5-4-8-26-12-13/h4-12H,3H2,1-2H3,(H,25,27,28).
What are the key properties of 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 392.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-8-ethoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71151333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).