2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline

C15H13FN2O — CID 132530521

IUPAC2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline
SMILESCOc1ccc(C2=NCc3ccccc3N2)c(F)c1
InChIInChI=1S/C15H13FN2O/c1-19-11-6-7-12(13(16)8-11)15-17-9-10-4-2-3-5-14(10)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyQHEYUNZGRCVWGT-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.21
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline

2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline (PubChem CID 132530521) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline
PubChem CID132530521
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline
SMILESCOc1ccc(C2=NCc3ccccc3N2)c(F)c1
InChIInChI=1S/C15H13FN2O/c1-19-11-6-7-12(13(16)8-11)15-17-9-10-4-2-3-5-14(10)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyQHEYUNZGRCVWGT-UHFFFAOYSA-N
XLogP3.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline (CID 132530521) is 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline is COc1ccc(C2=NCc3ccccc3N2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline?
The InChIKey is QHEYUNZGRCVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-19-11-6-7-12(13(16)8-11)15-17-9-10-4-2-3-5-14(10)18-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline?
2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline has a molecular weight of 256.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-1,4-dihydroquinazoline is sourced from PubChem (CID 132530521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).