10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline

C20H15ClN2 — CID 150583315

IUPAC10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline
SMILESCc1cc(C)cc(-c2ncnc3c2ccc2cccc(Cl)c23)c1
InChIInChI=1S/C20H15ClN2/c1-12-8-13(2)10-15(9-12)19-16-7-6-14-4-3-5-17(21)18(14)20(16)23-11-22-19/h3-11H,1-2H3
InChIKeyIOHPQMZPTWWSEG-UHFFFAOYSA-N
MW318.81 g/mol
LogP5.72
Rot. Bonds1

About 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline

10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline (PubChem CID 150583315) has the molecular formula C20H15ClN2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline.

Molecular Properties

Compound Name10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline
PubChem CID150583315
Molecular FormulaC20H15ClN2
Molecular Weight318.81 g/mol
Exact Mass318.09
IUPAC Name10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline
SMILESCc1cc(C)cc(-c2ncnc3c2ccc2cccc(Cl)c23)c1
InChIInChI=1S/C20H15ClN2/c1-12-8-13(2)10-15(9-12)19-16-7-6-14-4-3-5-17(21)18(14)20(16)23-11-22-19/h3-11H,1-2H3
InChIKeyIOHPQMZPTWWSEG-UHFFFAOYSA-N
XLogP5.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.72
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)-8,10-dimethylpyrido[4,3-h]quinazoline
CID 162692975
5-(2-deuteriopropan-2-yl)-1-(3,5-dimethylphenyl)naphtho[1,2-h]quinazoline
CID 162692728
[4-(3,5-dimethylphenyl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane
CID 162692812
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
12-(3,5-dimethylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816732
3,5-dichlorophenanthrene
CID 123462675
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
1-(3,5-dimethylphenyl)perylene
CID 20517158
4-(3,5-dimethylphenyl)-7-fluoro-1-methylbenzo[f]isoquinoline
CID 154589488
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
4-(3-tert-butyl-5-methylphenyl)-2,10-di(propan-2-yl)benzo[h]quinazoline
CID 162693126

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline?
The IUPAC name of 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline (CID 150583315) is 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline.
What is the SMILES notation for 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline?
The canonical SMILES for 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline is Cc1cc(C)cc(-c2ncnc3c2ccc2cccc(Cl)c23)c1.
What is the InChIKey of 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline?
The InChIKey is IOHPQMZPTWWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2/c1-12-8-13(2)10-15(9-12)19-16-7-6-14-4-3-5-17(21)18(14)20(16)23-11-22-19/h3-11H,1-2H3.
What are the key properties of 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline?
10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline has a molecular weight of 318.81 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-(3,5-dimethylphenyl)benzo[h]quinazoline is sourced from PubChem (CID 150583315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).