4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline

C21H19N3 — CID 162692975

IUPAC4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
SMILESCc1cc(C)cc(-c2ncnc3c2ccc2cc(C)nc(C)c23)c1
InChIInChI=1S/C21H19N3/c1-12-7-13(2)9-17(8-12)20-18-6-5-16-10-14(3)24-15(4)19(16)21(18)23-11-22-20/h5-11H,1-4H3
InChIKeyGMNUCGHCJHUOAW-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.08
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline

4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline (PubChem CID 162692975) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
PubChem CID162692975
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
SMILESCc1cc(C)cc(-c2ncnc3c2ccc2cc(C)nc(C)c23)c1
InChIInChI=1S/C21H19N3/c1-12-7-13(2)9-17(8-12)20-18-6-5-16-10-14(3)24-15(4)19(16)21(18)23-11-22-20/h5-11H,1-4H3
InChIKeyGMNUCGHCJHUOAW-UHFFFAOYSA-N
XLogP5.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline
CID 150583315
5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
CID 162692728
1,3,8,10-tetramethyl-2,9-phenanthroline
CID 118895261
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
7-(3,5-dimethylphenyl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-11-(trifluoromethyl)-[1]benzothiolo[5,4-g]quinazoline
CID 164733688
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
CID 118345131
[4-(3,5-dimethylphenyl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane
CID 162692812

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?
The IUPAC name of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline (CID 162692975) is 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?
The canonical SMILES for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline is Cc1cc(C)cc(-c2ncnc3c2ccc2cc(C)nc(C)c23)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?
The InChIKey is GMNUCGHCJHUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-12-7-13(2)9-17(8-12)20-18-6-5-16-10-14(3)24-15(4)19(16)21(18)23-11-22-20/h5-11H,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?
4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline has a molecular weight of 313.40 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline is sourced from PubChem (CID 162692975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).