4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile

C15H9ClN2O — CID 69374001

IUPAC4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
SMILESCOc1cccc2c1ccc1c(Cl)c(C#N)cnc12
InChIInChI=1S/C15H9ClN2O/c1-19-13-4-2-3-11-10(13)5-6-12-14(16)9(7-17)8-18-15(11)12/h2-6,8H,1H3
InChIKeyBVTQIWNQXWVBDL-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.92
Rot. Bonds1

About 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile

4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile (PubChem CID 69374001) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
PubChem CID69374001
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
SMILESCOc1cccc2c1ccc1c(Cl)c(C#N)cnc12
InChIInChI=1S/C15H9ClN2O/c1-19-13-4-2-3-11-10(13)5-6-12-14(16)9(7-17)8-18-15(11)12/h2-6,8H,1H3
InChIKeyBVTQIWNQXWVBDL-UHFFFAOYSA-N
XLogP3.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile (CID 69374001) is 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile is COc1cccc2c1ccc1c(Cl)c(C#N)cnc12.
What is the InChIKey of 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile?
The InChIKey is BVTQIWNQXWVBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c1-19-13-4-2-3-11-10(13)5-6-12-14(16)9(7-17)8-18-15(11)12/h2-6,8H,1H3.
What are the key properties of 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile?
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile has a molecular weight of 268.70 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 69374001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).