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

C12H14FN3O — CID 117264462

IUPAC7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C12H14FN3O/c1-14-5-2-6-16-8-15-11-7-9(13)3-4-10(11)12(16)17/h3-4,7-8,14H,2,5-6H2,1H3
InChIKeyBBIOMDNCZPRKOZ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.15
Rot. Bonds4

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

7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one (PubChem CID 117264462) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
PubChem CID117264462
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
SMILESCNCCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C12H14FN3O/c1-14-5-2-6-16-8-15-11-7-9(13)3-4-10(11)12(16)17/h3-4,7-8,14H,2,5-6H2,1H3
InChIKeyBBIOMDNCZPRKOZ-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

3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
7-[2-(4-fluorophenyl)ethynyl]-3-propylquinazolin-4-one
CID 58574886
3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
CID 142210275
5-bromo-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117263765

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one (CID 117264462) is 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one is CNCCCn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
The InChIKey is BBIOMDNCZPRKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-14-5-2-6-16-8-15-11-7-9(13)3-4-10(11)12(16)17/h3-4,7-8,14H,2,5-6H2,1H3.
What are the key properties of 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one?
7-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 7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 117264462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).