4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one

C11H12FN3O — CID 105477197

IUPAC4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one
SMILESNCCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c12-8-4-1-3-7-9(5-2-6-13)14-11(16)15-10(7)8/h1,3-4H,2,5-6,13H2,(H,14,15,16)
InChIKeyHLQJGKNSLSMMEG-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.95
Rot. Bonds3

About 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one

4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one (PubChem CID 105477197) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one
PubChem CID105477197
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one
SMILESNCCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c12-8-4-1-3-7-9(5-2-6-13)14-11(16)15-10(7)8/h1,3-4H,2,5-6,13H2,(H,14,15,16)
InChIKeyHLQJGKNSLSMMEG-UHFFFAOYSA-N
XLogP0.95
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Propan-2-yl)-1,2-dihydroquinazolin-2-one
CID 13724869
4-Methylquinazolin-2(1H)-one
CID 3015712
4-Propyl-quinazolinone
CID 129858362
6-Fluoro-4-methyl-2(1H)-quinazolinone
CID 13563543
4-tert-butyl-6-fluoro-3H-quinazolin-2-one
CID 59485453
4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one
CID 71154686
5-Fluoro-4-methylquinazolin-2-ol
CID 84767527
7-fluoro-4-methyl-3H-quinazolin-2-one
CID 84767528
8-fluoro-4-methyl-3H-quinazolin-2-one
CID 84767529
4-ethyl-6-fluoro-3H-quinazolin-2-one
CID 89030542
4-propan-2-yl-8-(trifluoromethyl)-3H-quinazolin-2-one
CID 105511554
4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one
CID 175303920

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one?
The IUPAC name of 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one (CID 105477197) is 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one is NCCCc1[nH]c(=O)nc2c(F)cccc12.
What is the InChIKey of 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one?
The InChIKey is HLQJGKNSLSMMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-4-1-3-7-9(5-2-6-13)14-11(16)15-10(7)8/h1,3-4H,2,5-6,13H2,(H,14,15,16).
What are the key properties of 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one?
4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one has a molecular weight of 221.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-8-fluoro-3H-quinazolin-2-one is sourced from PubChem (CID 105477197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).