6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine

C21H17FN4O — CID 71179934

IUPAC6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H17FN4O/c1-23-20-16-11-14(13-6-8-15(22)9-7-13)12-18(27-2)19(16)25-21(26-20)17-5-3-4-10-24-17/h3-12H,1-2H3,(H,23,25,26)
InChIKeyDWGQDHJAFYYVRU-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.55
Rot. Bonds4

About 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine

6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine (PubChem CID 71179934) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine
PubChem CID71179934
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H17FN4O/c1-23-20-16-11-14(13-6-8-15(22)9-7-13)12-18(27-2)19(16)25-21(26-20)17-5-3-4-10-24-17/h3-12H,1-2H3,(H,23,25,26)
InChIKeyDWGQDHJAFYYVRU-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-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine (CID 71179934) is 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine is CNc1nc(-c2ccccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The InChIKey is DWGQDHJAFYYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-23-20-16-11-14(13-6-8-15(22)9-7-13)12-18(27-2)19(16)25-21(26-20)17-5-3-4-10-24-17/h3-12H,1-2H3,(H,23,25,26).
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-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-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-2-ylquinazolin-4-amine is sourced from PubChem (CID 71179934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).