6-chloro-4-methylbenzo[f]quinolin-3-one

C14H10ClNO — CID 54671830

IUPAC6-chloro-4-methylbenzo[f]quinolin-3-one
SMILESCn1c(=O)ccc2c3ccccc3c(Cl)cc21
InChIInChI=1S/C14H10ClNO/c1-16-13-8-12(15)10-5-3-2-4-9(10)11(13)6-7-14(16)17/h2-8H,1H3
InChIKeyASMHZIOXAAFITP-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.35
Rot. Bonds

About 6-chloro-4-methylbenzo[f]quinolin-3-one

6-chloro-4-methylbenzo[f]quinolin-3-one (PubChem CID 54671830) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-4-methylbenzo[f]quinolin-3-one.

Molecular Properties

Compound Name6-chloro-4-methylbenzo[f]quinolin-3-one
PubChem CID54671830
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name6-chloro-4-methylbenzo[f]quinolin-3-one
SMILESCn1c(=O)ccc2c3ccccc3c(Cl)cc21
InChIInChI=1S/C14H10ClNO/c1-16-13-8-12(15)10-5-3-2-4-9(10)11(13)6-7-14(16)17/h2-8H,1H3
InChIKeyASMHZIOXAAFITP-UHFFFAOYSA-N
XLogP3.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.35
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 6-chloro-4-methylbenzo[f]quinolin-3-one?
The IUPAC name of 6-chloro-4-methylbenzo[f]quinolin-3-one (CID 54671830) is 6-chloro-4-methylbenzo[f]quinolin-3-one.
What is the SMILES notation for 6-chloro-4-methylbenzo[f]quinolin-3-one?
The canonical SMILES for 6-chloro-4-methylbenzo[f]quinolin-3-one is Cn1c(=O)ccc2c3ccccc3c(Cl)cc21.
What is the InChIKey of 6-chloro-4-methylbenzo[f]quinolin-3-one?
The InChIKey is ASMHZIOXAAFITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-16-13-8-12(15)10-5-3-2-4-9(10)11(13)6-7-14(16)17/h2-8H,1H3.
What are the key properties of 6-chloro-4-methylbenzo[f]quinolin-3-one?
6-chloro-4-methylbenzo[f]quinolin-3-one has a molecular weight of 243.69 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylbenzo[f]quinolin-3-one is sourced from PubChem (CID 54671830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).