6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine

C21H17FN4 — CID 118437878

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2cc(C)c3ncnc(N)c3c2)ccc1F
InChIInChI=1S/C21H17FN4/c1-12-8-14(5-6-18(12)22)20-16(4-3-7-24-20)15-9-13(2)19-17(10-15)21(23)26-11-25-19/h3-11H,1-2H3,(H2,23,25,26)
InChIKeyYFIDBBOLTAMMCP-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.70
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine (PubChem CID 118437878) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
PubChem CID118437878
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2cc(C)c3ncnc(N)c3c2)ccc1F
InChIInChI=1S/C21H17FN4/c1-12-8-14(5-6-18(12)22)20-16(4-3-7-24-20)15-9-13(2)19-17(10-15)21(23)26-11-25-19/h3-11H,1-2H3,(H2,23,25,26)
InChIKeyYFIDBBOLTAMMCP-UHFFFAOYSA-N
XLogP4.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine (CID 118437878) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine is Cc1cc(-c2ncccc2-c2cc(C)c3ncnc(N)c3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine?
The InChIKey is YFIDBBOLTAMMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-12-8-14(5-6-18(12)22)20-16(4-3-7-24-20)15-9-13(2)19-17(10-15)21(23)26-11-25-19/h3-11H,1-2H3,(H2,23,25,26).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine has a molecular weight of 344.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine is sourced from PubChem (CID 118437878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).