7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one

C15H12FN3O — CID 150027587

IUPAC7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C15H12FN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyDGOJOOORKUDPMY-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.57
Rot. Bonds2

About 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one

7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one (PubChem CID 150027587) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one
PubChem CID150027587
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C15H12FN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyDGOJOOORKUDPMY-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one?
The IUPAC name of 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one (CID 150027587) is 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one?
The canonical SMILES for 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one is CNc1nc(=O)n(-c2ccccc2)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one?
The InChIKey is DGOJOOORKUDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20).
What are the key properties of 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one?
7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one has a molecular weight of 269.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(methylamino)-1-phenylquinazolin-2-one is sourced from PubChem (CID 150027587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).