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

C103H104N12+6 — CID 159251538

IUPAC2,3-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
SMILESCc1ccc2c(-c3ccccc3C)[n+](C)cnc2c1.Cc1ccc2nc[n+](C)c(-c3ccccc3C)c2c1.Cc1ccccc1-c1c2cccc(C(C)C)c2nc[n+]1C.Cc1ccccc1-c1c2cccc(C)c2nc[n+]1C.Cc1ccccc1-c1c2ccccc2nc(C)[n+]1C.Cc1ccccc1-c1c2ccccc2nc[n+]1C
InChIInChI=1S/C19H21N2.4C17H17N2.C16H15N2/c1-13(2)15-10-7-11-17-18(15)20-12-21(4)19(17)16-9-6-5-8-14(16)3;1-12-8-4-5-9-14(12)17-15-10-6-7-11-16(15)18-13(2)19(17)3;1-12-7-4-5-9-14(12)17-15-10-6-8-13(2)16(15)18-11-19(17)3;1-12-8-9-16-15(10-12)17(19(3)11-18-16)14-7-5-4-6-13(14)2;1-12-8-9-15-16(10-12)18-11-19(3)17(15)14-7-5-4-6-13(14)2;1-12-7-3-4-8-13(12)16-14-9-5-6-10-15(14)17-11-18(16)2/h5-13H,1-4H3;4*4-11H,1-3H3;3-11H,1-2H3/q6*+1
InChIKeyVGCDVCIGWDGLHT-UHFFFAOYSA-N
MW1510.05 g/mol
LogP20.57
Rot. Bonds7

About 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

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 (PubChem CID 159251538) has the molecular formula C103H104N12+6 and a molecular weight of 1510.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3-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
PubChem CID159251538
Molecular FormulaC103H104N12+6
Molecular Weight1510.05 g/mol
Exact Mass1508.85
IUPAC Name2,3-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
SMILESCc1ccc2c(-c3ccccc3C)[n+](C)cnc2c1.Cc1ccc2nc[n+](C)c(-c3ccccc3C)c2c1.Cc1ccccc1-c1c2cccc(C(C)C)c2nc[n+]1C.Cc1ccccc1-c1c2cccc(C)c2nc[n+]1C.Cc1ccccc1-c1c2ccccc2nc(C)[n+]1C.Cc1ccccc1-c1c2ccccc2nc[n+]1C
InChIInChI=1S/C19H21N2.4C17H17N2.C16H15N2/c1-13(2)15-10-7-11-17-18(15)20-12-21(4)19(17)16-9-6-5-8-14(16)3;1-12-8-4-5-9-14(12)17-15-10-6-7-11-16(15)18-13(2)19(17)3;1-12-7-4-5-9-14(12)17-15-10-6-8-13(2)16(15)18-11-19(17)3;1-12-8-9-16-15(10-12)17(19(3)11-18-16)14-7-5-4-6-13(14)2;1-12-8-9-15-16(10-12)18-11-19(3)17(15)14-7-5-4-6-13(14)2;1-12-7-3-4-8-13(12)16-14-9-5-6-10-15(14)17-11-18(16)2/h5-13H,1-4H3;4*4-11H,1-3H3;3-11H,1-2H3/q6*+1
InChIKeyVGCDVCIGWDGLHT-UHFFFAOYSA-N
XLogP20.57
TPSA100.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001510.05
LogP ≤ 520.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 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-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4-(2,5-dimethylphenyl)-3-methyl-8-pentan-3-ylquinazolin-3-ium
CID 123283178
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123191467
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)pyrido[3,2-d]pyrimidin-3-ium
CID 123952026
3,6-dimethyl-4-(2-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;3,7-dimethyl-4-(2-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;6-(2,2-dimethylpropyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;3-methyl-4-(2-methylphenyl)-8-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
CID 158255015
8-cyclobutyl-3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 123656345
5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
CID 158928398
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(-c3ccccc3C)[n+](C)cnc2c1.Cc1ccc2nc[n+](C)c(-c3ccccc3C)c2c1.Cc1ccccc1-c1c2cccc(C(C)C)c2nc[n+]1C.Cc1ccccc1-c1c2cccc(C)c2nc[n+]1C.Cc1ccccc1-c1c2ccccc2nc(C)[n+]1C.Cc1ccccc1-c1c2ccccc2nc[n+]1C.
What is the InChIKey of 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?
The InChIKey is VGCDVCIGWDGLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2.4C17H17N2.C16H15N2/c1-13(2)15-10-7-11-17-18(15)20-12-21(4)19(17)16-9-6-5-8-14(16)3;1-12-8-4-5-9-14(12)17-15-10-6-7-11-16(15)18-13(2)19(17)3;1-12-7-4-5-9-14(12)17-15-10-6-8-13(2)16(15)18-11-19(17)3;1-12-8-9-16-15(10-12)17(19(3)11-18-16)14-7-5-4-6-13(14)2;1-12-8-9-15-16(10-12)18-11-19(3)17(15)14-7-5-4-6-13(14)2;1-12-7-3-4-8-13(12)16-14-9-5-6-10-15(14)17-11-18(16)2/h5-13H,1-4H3;4*4-11H,1-3H3;3-11H,1-2H3/q6*+1.
What are the key properties of 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?
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 has a molecular weight of 1510.05 g/mol, XLogP of 20.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).