6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C23H20F2N4O2 — CID 71151624

IUPAC6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OCCOC)cc(-c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H20F2N4O2/c1-26-23-18-10-15(17-12-16(24)5-6-19(17)25)11-20(31-9-8-30-2)21(18)28-22(29-23)14-4-3-7-27-13-14/h3-7,10-13H,8-9H2,1-2H3,(H,26,28,29)
InChIKeyQZCHSOOUKDKQJK-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.70
Rot. Bonds7

About 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71151624) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71151624
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OCCOC)cc(-c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H20F2N4O2/c1-26-23-18-10-15(17-12-16(24)5-6-19(17)25)11-20(31-9-8-30-2)21(18)28-22(29-23)14-4-3-7-27-13-14/h3-7,10-13H,8-9H2,1-2H3,(H,26,28,29)
InChIKeyQZCHSOOUKDKQJK-UHFFFAOYSA-N
XLogP4.70
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71151624) is 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2c(OCCOC)cc(-c3cc(F)ccc3F)cc12.
What is the InChIKey of 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QZCHSOOUKDKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-26-23-18-10-15(17-12-16(24)5-6-19(17)25)11-20(31-9-8-30-2)21(18)28-22(29-23)14-4-3-7-27-13-14/h3-7,10-13H,8-9H2,1-2H3,(H,26,28,29).
What are the key properties of 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 422.44 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-8-(2-methoxyethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71151624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).