10-(3-methoxyphenyl)benzo[h]quinoline

C20H15NO — CID 102579278

IUPAC10-(3-methoxyphenyl)benzo[h]quinoline
SMILESCOc1cccc(-c2cccc3ccc4cccnc4c23)c1
InChIInChI=1S/C20H15NO/c1-22-17-8-2-6-16(13-17)18-9-3-5-14-10-11-15-7-4-12-21-20(15)19(14)18/h2-13H,1H3
InChIKeyRRPCWWFPLRHRTC-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.06
Rot. Bonds2

About 10-(3-methoxyphenyl)benzo[h]quinoline

10-(3-methoxyphenyl)benzo[h]quinoline (PubChem CID 102579278) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 10-(3-methoxyphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(3-methoxyphenyl)benzo[h]quinoline
PubChem CID102579278
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name10-(3-methoxyphenyl)benzo[h]quinoline
SMILESCOc1cccc(-c2cccc3ccc4cccnc4c23)c1
InChIInChI=1S/C20H15NO/c1-22-17-8-2-6-16(13-17)18-9-3-5-14-10-11-15-7-4-12-21-20(15)19(14)18/h2-13H,1H3
InChIKeyRRPCWWFPLRHRTC-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 10-(3-methoxyphenyl)benzo[h]quinoline?
The IUPAC name of 10-(3-methoxyphenyl)benzo[h]quinoline (CID 102579278) is 10-(3-methoxyphenyl)benzo[h]quinoline.
What is the SMILES notation for 10-(3-methoxyphenyl)benzo[h]quinoline?
The canonical SMILES for 10-(3-methoxyphenyl)benzo[h]quinoline is COc1cccc(-c2cccc3ccc4cccnc4c23)c1.
What is the InChIKey of 10-(3-methoxyphenyl)benzo[h]quinoline?
The InChIKey is RRPCWWFPLRHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-22-17-8-2-6-16(13-17)18-9-3-5-14-10-11-15-7-4-12-21-20(15)19(14)18/h2-13H,1H3.
What are the key properties of 10-(3-methoxyphenyl)benzo[h]quinoline?
10-(3-methoxyphenyl)benzo[h]quinoline has a molecular weight of 285.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxyphenyl)benzo[h]quinoline is sourced from PubChem (CID 102579278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).