5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine

C15H14FN3O — CID 21192819

IUPAC5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
SMILESCOc1ccc(C2N=C(N)c3c(F)cccc3N2)cc1
InChIInChI=1S/C15H14FN3O/c1-20-10-7-5-9(6-8-10)15-18-12-4-2-3-11(16)13(12)14(17)19-15/h2-8,15,18H,1H3,(H2,17,19)
InChIKeyADVXVBOVHBALNY-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.66
Rot. Bonds2

About 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine

5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine (PubChem CID 21192819) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
PubChem CID21192819
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
SMILESCOc1ccc(C2N=C(N)c3c(F)cccc3N2)cc1
InChIInChI=1S/C15H14FN3O/c1-20-10-7-5-9(6-8-10)15-18-12-4-2-3-11(16)13(12)14(17)19-15/h2-8,15,18H,1H3,(H2,17,19)
InChIKeyADVXVBOVHBALNY-UHFFFAOYSA-N
XLogP2.66
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine (CID 21192819) is 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine is COc1ccc(C2N=C(N)c3c(F)cccc3N2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
The InChIKey is ADVXVBOVHBALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-10-7-5-9(6-8-10)15-18-12-4-2-3-11(16)13(12)14(17)19-15/h2-8,15,18H,1H3,(H2,17,19).
What are the key properties of 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine?
5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine has a molecular weight of 271.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 21192819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).