8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one

C12H14FN3O — CID 117264812

IUPAC8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1cnc2c(F)cccc2c1=O
InChIInChI=1S/C12H14FN3O/c1-14-6-3-7-16-8-15-11-9(12(16)17)4-2-5-10(11)13/h2,4-5,8,14H,3,6-7H2,1H3
InChIKeyUAJFCNCWPZUMMM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.15
Rot. Bonds4

About 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one

8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one (PubChem CID 117264812) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
PubChem CID117264812
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1cnc2c(F)cccc2c1=O
InChIInChI=1S/C12H14FN3O/c1-14-6-3-7-16-8-15-11-9(12(16)17)4-2-5-10(11)13/h2,4-5,8,14H,3,6-7H2,1H3
InChIKeyUAJFCNCWPZUMMM-UHFFFAOYSA-N
XLogP1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462
3-[3-(methylamino)propyl]-5-(trifluoromethyl)quinazolin-4-one
CID 117263751
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
CID 117264733
5-bromo-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117263765
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 167903723
5-bromo-6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310691
3-(4-amino-4-methylpentyl)-8-methylquinazolin-4-one
CID 71007382
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine
CID 84730122
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one (CID 117264812) is 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one is CNCCCn1cnc2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The InChIKey is UAJFCNCWPZUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-14-6-3-7-16-8-15-11-9(12(16)17)4-2-5-10(11)13/h2,4-5,8,14H,3,6-7H2,1H3.
What are the key properties of 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 117264812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).