7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one

C12H14FN3O — CID 105496020

IUPAC7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one
SMILESCNC(C)Cc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C12H14FN3O/c1-7(14-2)5-10-9-4-3-8(13)6-11(9)16-12(17)15-10/h3-4,6-7,14H,5H2,1-2H3,(H,15,16,17)
InChIKeyBBVKYSQZYUSMPS-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.21
Rot. Bonds3

About 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one

7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one (PubChem CID 105496020) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one
PubChem CID105496020
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one
SMILESCNC(C)Cc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C12H14FN3O/c1-7(14-2)5-10-9-4-3-8(13)6-11(9)16-12(17)15-10/h3-4,6-7,14H,5H2,1-2H3,(H,15,16,17)
InChIKeyBBVKYSQZYUSMPS-UHFFFAOYSA-N
XLogP1.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one?
The IUPAC name of 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one (CID 105496020) is 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one.
What is the SMILES notation for 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one?
The canonical SMILES for 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one is CNC(C)Cc1[nH]c(=O)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one?
The InChIKey is BBVKYSQZYUSMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7(14-2)5-10-9-4-3-8(13)6-11(9)16-12(17)15-10/h3-4,6-7,14H,5H2,1-2H3,(H,15,16,17).
What are the key properties of 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one?
7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one has a molecular weight of 235.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one is sourced from PubChem (CID 105496020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).