3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one

C18H16FN3O2 — CID 176686105

IUPAC3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(F)c(-c2ccc3nc(C4CC4)n(N)c(=O)c3c2)c1
InChIInChI=1S/C18H16FN3O2/c1-24-12-5-6-15(19)13(9-12)11-4-7-16-14(8-11)18(23)22(20)17(21-16)10-2-3-10/h4-10H,2-3,20H2,1H3
InChIKeyFHCBWEANYDFNJT-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.80
Rot. Bonds3

About 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one

3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one (PubChem CID 176686105) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one
PubChem CID176686105
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(F)c(-c2ccc3nc(C4CC4)n(N)c(=O)c3c2)c1
InChIInChI=1S/C18H16FN3O2/c1-24-12-5-6-15(19)13(9-12)11-4-7-16-14(8-11)18(23)22(20)17(21-16)10-2-3-10/h4-10H,2-3,20H2,1H3
InChIKeyFHCBWEANYDFNJT-UHFFFAOYSA-N
XLogP2.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one (CID 176686105) is 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one is COc1ccc(F)c(-c2ccc3nc(C4CC4)n(N)c(=O)c3c2)c1.
What is the InChIKey of 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one?
The InChIKey is FHCBWEANYDFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-12-5-6-15(19)13(9-12)11-4-7-16-14(8-11)18(23)22(20)17(21-16)10-2-3-10/h4-10H,2-3,20H2,1H3.
What are the key properties of 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one?
3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one has a molecular weight of 325.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-6-(2-fluoro-5-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 176686105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).