3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one

C20H16FN3O2 — CID 849813

IUPAC3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CNCc2ccco2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-14-7-9-15(10-8-14)24-19(13-22-12-16-4-3-11-26-16)23-18-6-2-1-5-17(18)20(24)25/h1-11,22H,12-13H2
InChIKeyUUOOHKCMMMJMFH-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.41
Rot. Bonds5

About 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one

3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one (PubChem CID 849813) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one
PubChem CID849813
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CNCc2ccco2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-14-7-9-15(10-8-14)24-19(13-22-12-16-4-3-11-26-16)23-18-6-2-1-5-17(18)20(24)25/h1-11,22H,12-13H2
InChIKeyUUOOHKCMMMJMFH-UHFFFAOYSA-N
XLogP3.41
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one (CID 849813) is 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one is O=c1c2ccccc2nc(CNCc2ccco2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one?
The InChIKey is UUOOHKCMMMJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-14-7-9-15(10-8-14)24-19(13-22-12-16-4-3-11-26-16)23-18-6-2-1-5-17(18)20(24)25/h1-11,22H,12-13H2.
What are the key properties of 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one?
3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one has a molecular weight of 349.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[(furan-2-ylmethylamino)methyl]quinazolin-4-one is sourced from PubChem (CID 849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).