3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one

C21H14ClF2N3O — CID 10501013

IUPAC3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(NCc2ccccc2F)n1-c1ccccc1Cl
InChIInChI=1S/C21H14ClF2N3O/c22-16-6-2-4-8-19(16)27-20(28)15-11-14(23)9-10-18(15)26-21(27)25-12-13-5-1-3-7-17(13)24/h1-11H,12H2,(H,25,26)
InChIKeyNTAXWQDPRVHIRF-UHFFFAOYSA-N
MW397.81 g/mol
LogP4.93
Rot. Bonds4

About 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one

3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one (PubChem CID 10501013) has the molecular formula C21H14ClF2N3O and a molecular weight of 397.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one
PubChem CID10501013
Molecular FormulaC21H14ClF2N3O
Molecular Weight397.81 g/mol
Exact Mass397.08
IUPAC Name3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(NCc2ccccc2F)n1-c1ccccc1Cl
InChIInChI=1S/C21H14ClF2N3O/c22-16-6-2-4-8-19(16)27-20(28)15-11-14(23)9-10-18(15)26-21(27)25-12-13-5-1-3-7-17(13)24/h1-11H,12H2,(H,25,26)
InChIKeyNTAXWQDPRVHIRF-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one (CID 10501013) is 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one is O=c1c2cc(F)ccc2nc(NCc2ccccc2F)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one?
The InChIKey is NTAXWQDPRVHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O/c22-16-6-2-4-8-19(16)27-20(28)15-11-14(23)9-10-18(15)26-21(27)25-12-13-5-1-3-7-17(13)24/h1-11H,12H2,(H,25,26).
What are the key properties of 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one?
3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one has a molecular weight of 397.81 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one is sourced from PubChem (CID 10501013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).