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

C107H124F5N10+5 — CID 158761466

IUPAC4-(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
SMILESCc1cc(-c2c3cc(C(C)C)ccc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(C(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(CC(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(C(C)C)c3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(CC(C)C)c3nc[n+]2C)c(C)c(C)c1F
InChIInChI=1S/2C22H26FN2.3C21H24FN2/c1-13(2)9-17-7-8-18-20(11-17)24-12-25(6)22(18)19-10-14(3)21(23)16(5)15(19)4;1-13(2)10-17-8-7-9-18-21(17)24-12-25(6)22(18)19-11-14(3)20(23)16(5)15(19)4;1-12(2)16-7-8-19-18(10-16)21(24(6)11-23-19)17-9-13(3)20(22)15(5)14(17)4;1-12(2)16-7-8-17-19(10-16)23-11-24(6)21(17)18-9-13(3)20(22)15(5)14(18)4;1-12(2)16-8-7-9-17-20(16)23-11-24(6)21(17)18-10-13(3)19(22)15(5)14(18)4/h7-8,10-13H,9H2,1-6H3;7-9,11-13H,10H2,1-6H3;3*7-12H,1-6H3/q5*+1
InChIKeyVHGYJPSLIYXFDX-UHFFFAOYSA-N
MW1645.23 g/mol
LogP24.72
Rot. Bonds12

About 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

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 (PubChem CID 158761466) has the molecular formula C107H124F5N10+5 and a molecular weight of 1645.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158761466
Molecular FormulaC107H124F5N10+5
Molecular Weight1645.23 g/mol
Exact Mass1643.99
IUPAC Name4-(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
SMILESCc1cc(-c2c3cc(C(C)C)ccc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(C(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(CC(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(C(C)C)c3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(CC(C)C)c3nc[n+]2C)c(C)c(C)c1F
InChIInChI=1S/2C22H26FN2.3C21H24FN2/c1-13(2)9-17-7-8-18-20(11-17)24-12-25(6)22(18)19-10-14(3)21(23)16(5)15(19)4;1-13(2)10-17-8-7-9-18-21(17)24-12-25(6)22(18)19-11-14(3)20(23)16(5)15(19)4;1-12(2)16-7-8-19-18(10-16)21(24(6)11-23-19)17-9-13(3)20(22)15(5)14(17)4;1-12(2)16-7-8-17-19(10-16)23-11-24(6)21(17)18-9-13(3)20(22)15(5)14(18)4;1-12(2)16-8-7-9-17-20(16)23-11-24(6)21(17)18-10-13(3)19(22)15(5)14(18)4/h7-8,10-13H,9H2,1-6H3;7-9,11-13H,10H2,1-6H3;3*7-12H,1-6H3/q5*+1
InChIKeyVHGYJPSLIYXFDX-UHFFFAOYSA-N
XLogP24.72
TPSA83.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001645.23
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methyl-7-(2-methylpropyl)quinazolin-3-ium
CID 166054503
4-(4-fluoro-2,3,5-trimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123933002
4-(4-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium
CID 123301612
9-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-8,14-dimethyl-11-oxa-13-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-2,6,7-trimethyl-[1]benzofuro[2,3-b]pyridine;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-7-(2-methylpropyl)quinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methylquinazolin-3-ium;2,6,7-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 161375235
2,3-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,6-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,7-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,8-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3-methyl-4-(2-methylphenyl)-8-propan-2-ylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 159251538
9-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-8,14-dimethyl-11-oxa-13-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-2,7-dimethyl-6-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;4-(4-fluoro-2,3,5-trimethylphenyl)-3-methyl-7-(2-methylpropyl)quinazolin-3-ium;2,6,7-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 159004838
4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
CID 163556974
3-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-2-(2,3,5-trimethylphenyl)quinazolin-3-ium
CID 159415389
1-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-5-propan-2-ylisoquinolin-2-ium
CID 157280383
6-cyclobutyl-4-(4-fluoro-2,5-dimethylphenyl)-3-methylquinazolin-3-ium;7-cyclobutyl-4-(4-fluoro-2,5-dimethylphenyl)-3-methylquinazolin-3-ium;8-cyclobutyl-4-(4-fluoro-2,5-dimethylphenyl)-3-methylquinazolin-3-ium;6-cyclopentyl-4-(4-fluoro-2,5-dimethylphenyl)-3-methylquinazolin-3-ium;4-(4-fluoro-2,5-dimethylphenyl)-3-methyl-8-pentan-3-ylquinazolin-3-ium
CID 159093499
1-(4-fluoro-2,3,5-trimethylphenyl)-7-propan-2-ylisoquinoline
CID 166878735

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c3cc(C(C)C)ccc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(C(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3ccc(CC(C)C)cc3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(C(C)C)c3nc[n+]2C)c(C)c(C)c1F.Cc1cc(-c2c3cccc(CC(C)C)c3nc[n+]2C)c(C)c(C)c1F.
What is the InChIKey of 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?
The InChIKey is VHGYJPSLIYXFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26FN2.3C21H24FN2/c1-13(2)9-17-7-8-18-20(11-17)24-12-25(6)22(18)19-10-14(3)21(23)16(5)15(19)4;1-13(2)10-17-8-7-9-18-21(17)24-12-25(6)22(18)19-11-14(3)20(23)16(5)15(19)4;1-12(2)16-7-8-19-18(10-16)21(24(6)11-23-19)17-9-13(3)20(22)15(5)14(17)4;1-12(2)16-7-8-17-19(10-16)23-11-24(6)21(17)18-9-13(3)20(22)15(5)14(18)4;1-12(2)16-8-7-9-17-20(16)23-11-24(6)21(17)18-10-13(3)19(22)15(5)14(18)4/h7-8,10-13H,9H2,1-6H3;7-9,11-13H,10H2,1-6H3;3*7-12H,1-6H3/q5*+1.
What are the key properties of 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?
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 has a molecular weight of 1645.23 g/mol, XLogP of 24.72, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158761466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).