4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium

C19H20FN2+ — CID 123301612

IUPAC4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium
SMILESCc1cc(F)ccc1-c1c2cc(C(C)C)ccc2nc[n+]1C
InChIInChI=1S/C19H20FN2/c1-12(2)14-5-8-18-17(10-14)19(22(4)11-21-18)16-7-6-15(20)9-13(16)3/h5-12H,1-4H3/q+1
InChIKeyGAHCDPVYXPXMKZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.30
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium

4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium (PubChem CID 123301612) has the molecular formula C19H20FN2+ and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium
PubChem CID123301612
Molecular FormulaC19H20FN2+
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium
SMILESCc1cc(F)ccc1-c1c2cc(C(C)C)ccc2nc[n+]1C
InChIInChI=1S/C19H20FN2/c1-12(2)14-5-8-18-17(10-14)19(22(4)11-21-18)16-7-6-15(20)9-13(16)3/h5-12H,1-4H3/q+1
InChIKeyGAHCDPVYXPXMKZ-UHFFFAOYSA-N
XLogP4.30
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2-methylphenyl)-3-methyl-7-pentan-3-ylquinazolin-3-ium
CID 123717752
4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium
CID 159508083
4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-7-(2-methylpropyl)quinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-8-(2-methylpropyl)quinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium
CID 158761466
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methyl-7-(4-propan-2-ylphenyl)quinazolin-3-ium
CID 166054807
methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate
CID 58894514
4-(4-fluoro-2,3,5-trimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123933002
2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium
CID 155638091
6-fluoro-4-propan-2-ylquinoline
CID 83527062
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123191467
3-methyl-4-(2-methyl-5-propan-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium
CID 140920866
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium (CID 123301612) is 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium is Cc1cc(F)ccc1-c1c2cc(C(C)C)ccc2nc[n+]1C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium?
The InChIKey is GAHCDPVYXPXMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN2/c1-12(2)14-5-8-18-17(10-14)19(22(4)11-21-18)16-7-6-15(20)9-13(16)3/h5-12H,1-4H3/q+1.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium?
4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium has a molecular weight of 295.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium is sourced from PubChem (CID 123301612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).