6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one

C12H13FN2O2 — CID 154775058

IUPAC6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
SMILESCOCCCc1nc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O2/c1-17-6-2-3-11-14-10-5-4-8(13)7-9(10)12(16)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyVAXYZUOLNGJKIC-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.64
Rot. Bonds4

About 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one

6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one (PubChem CID 154775058) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
PubChem CID154775058
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
SMILESCOCCCc1nc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O2/c1-17-6-2-3-11-14-10-5-4-8(13)7-9(10)12(16)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyVAXYZUOLNGJKIC-UHFFFAOYSA-N
XLogP1.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-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

6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
CID 137190135
(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid
CID 135653898
methyl 7-(7-fluoro-4-oxo-3H-quinazolin-2-yl)heptanoate
CID 169087846
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136607500
2-(chloromethyl)-6-fluoro-3H-quinazolin-4-one;methyl 2-amino-5-fluorobenzoate
CID 159028152
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
2-butyl-6-(hydroxymethyl)-3H-quinazolin-4-one
CID 135689363
2-heptyl-4-oxo-3H-quinazoline-6-carboxylic acid
CID 135711228
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
CID 136661154
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one (CID 154775058) is 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one is COCCCc1nc2ccc(F)cc2c(=O)[nH]1.
What is the InChIKey of 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one?
The InChIKey is VAXYZUOLNGJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-17-6-2-3-11-14-10-5-4-8(13)7-9(10)12(16)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one?
6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one has a molecular weight of 236.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one is sourced from PubChem (CID 154775058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).