6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C24H23FN4O3 — CID 71151320

IUPAC6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12
InChIInChI=1S/C24H23FN4O3/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29)
InChIKeyHWSMYASCCUITHF-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.57
Rot. Bonds8

About 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71151320) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71151320
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12
InChIInChI=1S/C24H23FN4O3/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29)
InChIKeyHWSMYASCCUITHF-UHFFFAOYSA-N
XLogP4.57
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71151320) is 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12.
What is the InChIKey of 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HWSMYASCCUITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29).
What are the key properties of 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 434.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71151320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).