4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline

C18H19N — CID 71048988

IUPAC4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
SMILESCc1cc(C(C)C)cc2c1ccc1c(C)ccnc12
InChIInChI=1S/C18H19N/c1-11(2)14-9-13(4)15-5-6-16-12(3)7-8-19-18(16)17(15)10-14/h5-11H,1-4H3
InChIKeyNADJNQAIIHUUBY-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.13
Rot. Bonds1

About 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline

4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline (PubChem CID 71048988) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Name4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
PubChem CID71048988
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
SMILESCc1cc(C(C)C)cc2c1ccc1c(C)ccnc12
InChIInChI=1S/C18H19N/c1-11(2)14-9-13(4)15-5-6-16-12(3)7-8-19-18(16)17(15)10-14/h5-11H,1-4H3
InChIKeyNADJNQAIIHUUBY-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline?
The IUPAC name of 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline (CID 71048988) is 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline.
What is the SMILES notation for 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline?
The canonical SMILES for 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline is Cc1cc(C(C)C)cc2c1ccc1c(C)ccnc12.
What is the InChIKey of 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline?
The InChIKey is NADJNQAIIHUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-11(2)14-9-13(4)15-5-6-16-12(3)7-8-19-18(16)17(15)10-14/h5-11H,1-4H3.
What are the key properties of 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline?
4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline has a molecular weight of 249.36 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline is sourced from PubChem (CID 71048988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).