4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline

C25H26N2 — CID 162692996

IUPAC4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1ccc(-c2nc(C(C)C)nc3c2ccc2cc(C)cc(C)c23)c(C)c1
InChIInChI=1S/C25H26N2/c1-14(2)25-26-23(20-9-7-15(3)11-17(20)5)21-10-8-19-13-16(4)12-18(6)22(19)24(21)27-25/h7-14H,1-6H3
InChIKeyDHUHOAURDNAFGA-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.81
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline

4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline (PubChem CID 162692996) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
PubChem CID162692996
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline
SMILESCc1ccc(-c2nc(C(C)C)nc3c2ccc2cc(C)cc(C)c23)c(C)c1
InChIInChI=1S/C25H26N2/c1-14(2)25-26-23(20-9-7-15(3)11-17(20)5)21-10-8-19-13-16(4)12-18(6)22(19)24(21)27-25/h7-14H,1-6H3
InChIKeyDHUHOAURDNAFGA-UHFFFAOYSA-N
XLogP6.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.81
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-(3,5-dimethylphenyl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692647
2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 126550804
4-(3,5-dimethylbenzene-6-id-1-yl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693297
4-(3-tert-butyl-5-methylphenyl)-2,10-di(propan-2-yl)benzo[h]quinazoline
CID 162693126
8-tert-butyl-4-(2,7-dimethyldibenzofuran-4-yl)-2,10-dimethylbenzo[h]quinazoline
CID 162692667
4-(3-tert-butyl-5-methylphenyl)-10-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162692416
4-(2,4-dimethylbenzene-6-id-1-yl)-8,10-dimethyl-2-propan-2-ylpyrido[4,3-h]quinazoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 162692988
ethane;1,3,6-trimethylnaphthalene
CID 91186069
2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242
4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692664
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline (CID 162692996) is 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline is Cc1ccc(-c2nc(C(C)C)nc3c2ccc2cc(C)cc(C)c23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline?
The InChIKey is DHUHOAURDNAFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-14(2)25-26-23(20-9-7-15(3)11-17(20)5)21-10-8-19-13-16(4)12-18(6)22(19)24(21)27-25/h7-14H,1-6H3.
What are the key properties of 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline?
4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline has a molecular weight of 354.50 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 162692996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).