4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline

C24H24N2 — CID 162692647

IUPAC4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1cc(C)cc(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)c1
InChIInChI=1S/C24H24N2/c1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24/h6-14H,1-5H3
InChIKeyKHSVCGFACBDNBV-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.50
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline

4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline (PubChem CID 162692647) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline
PubChem CID162692647
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1cc(C)cc(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)c1
InChIInChI=1S/C24H24N2/c1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24/h6-14H,1-5H3
InChIKeyKHSVCGFACBDNBV-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692996
4-(3-tert-butyl-5-methylphenyl)-2,10-di(propan-2-yl)benzo[h]quinazoline
CID 162693126
4-(3-tert-butyl-5-methylphenyl)-10-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692416
(Z)-3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;iridium;9-methyl-4-phenyl-2-propan-2-ylbenzo[h]quinazoline
CID 162693019
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
CID 59348536
CID 174030221
CID 174030221
9-(3,5-dimethylphenyl)-2-[4-[9-(3,5-dimethylphenyl)benzo[h]quinolin-2-yl]phenyl]benzo[h]quinoline
CID 59010491
ethane;3-methyl-6-propan-2-ylphenanthrene
CID 145088146
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-(9-methyl-2-propan-2-ylbenzo[h]quinazolin-4-yl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162693309
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
[4-(3,5-dimethylphenyl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane
CID 162692812
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline (CID 162692647) is 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline is Cc1cc(C)cc(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline?
The InChIKey is KHSVCGFACBDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24/h6-14H,1-5H3.
What are the key properties of 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline?
4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline has a molecular weight of 340.47 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 162692647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).