6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C21H17FN4O — CID 71179890

IUPAC6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(OC)c3)cc12
InChIInChI=1S/C21H17FN4O/c1-23-21-18-10-13(15-8-16(22)11-17(9-15)27-2)5-6-19(18)25-20(26-21)14-4-3-7-24-12-14/h3-12H,1-2H3,(H,23,25,26)
InChIKeyJOJKCQRKZVCSHL-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.55
Rot. Bonds4

About 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71179890) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71179890
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(OC)c3)cc12
InChIInChI=1S/C21H17FN4O/c1-23-21-18-10-13(15-8-16(22)11-17(9-15)27-2)5-6-19(18)25-20(26-21)14-4-3-7-24-12-14/h3-12H,1-2H3,(H,23,25,26)
InChIKeyJOJKCQRKZVCSHL-UHFFFAOYSA-N
XLogP4.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71179890) is 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(OC)c3)cc12.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JOJKCQRKZVCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-23-21-18-10-13(15-8-16(22)11-17(9-15)27-2)5-6-19(18)25-20(26-21)14-4-3-7-24-12-14/h3-12H,1-2H3,(H,23,25,26).
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 360.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71179890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).