10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline

C17H17NO — CID 134966824

IUPAC10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline
SMILESCC(C)(C)Oc1cccc2ccc3cccnc3c12
InChIInChI=1S/C17H17NO/c1-17(2,3)19-14-8-4-6-12-9-10-13-7-5-11-18-16(13)15(12)14/h4-11H,1-3H3
InChIKeyKDUSIDGYZRGMOE-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.57
Rot. Bonds1

About 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline

10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline (PubChem CID 134966824) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline.

Molecular Properties

Compound Name10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline
PubChem CID134966824
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline
SMILESCC(C)(C)Oc1cccc2ccc3cccnc3c12
InChIInChI=1S/C17H17NO/c1-17(2,3)19-14-8-4-6-12-9-10-13-7-5-11-18-16(13)15(12)14/h4-11H,1-3H3
InChIKeyKDUSIDGYZRGMOE-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.57
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-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline?
The IUPAC name of 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline (CID 134966824) is 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline.
What is the SMILES notation for 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline?
The canonical SMILES for 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline is CC(C)(C)Oc1cccc2ccc3cccnc3c12.
What is the InChIKey of 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline?
The InChIKey is KDUSIDGYZRGMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-17(2,3)19-14-8-4-6-12-9-10-13-7-5-11-18-16(13)15(12)14/h4-11H,1-3H3.
What are the key properties of 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline?
10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline has a molecular weight of 251.33 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methylpropan-2-yl)oxy]benzo[h]quinoline is sourced from PubChem (CID 134966824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).