2-methylbenzo[b]quinolizin-6-one

C14H11NO — CID 2752779

IUPAC2-methylbenzo[b]quinolizin-6-one
SMILESCc1ccn2c(=O)c3ccccc3cc2c1
InChIInChI=1S/C14H11NO/c1-10-6-7-15-12(8-10)9-11-4-2-3-5-13(11)14(15)16/h2-9H,1H3
InChIKeySHDXETSUFCZFNT-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.76
Rot. Bonds

About 2-methylbenzo[b]quinolizin-6-one

2-methylbenzo[b]quinolizin-6-one (PubChem CID 2752779) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methylbenzo[b]quinolizin-6-one.

Molecular Properties

Compound Name2-methylbenzo[b]quinolizin-6-one
PubChem CID2752779
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-methylbenzo[b]quinolizin-6-one
SMILESCc1ccn2c(=O)c3ccccc3cc2c1
InChIInChI=1S/C14H11NO/c1-10-6-7-15-12(8-10)9-11-4-2-3-5-13(11)14(15)16/h2-9H,1H3
InChIKeySHDXETSUFCZFNT-UHFFFAOYSA-N
XLogP2.76
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[b]quinolizin-6-one?
The IUPAC name of 2-methylbenzo[b]quinolizin-6-one (CID 2752779) is 2-methylbenzo[b]quinolizin-6-one.
What is the SMILES notation for 2-methylbenzo[b]quinolizin-6-one?
The canonical SMILES for 2-methylbenzo[b]quinolizin-6-one is Cc1ccn2c(=O)c3ccccc3cc2c1.
What is the InChIKey of 2-methylbenzo[b]quinolizin-6-one?
The InChIKey is SHDXETSUFCZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-6-7-15-12(8-10)9-11-4-2-3-5-13(11)14(15)16/h2-9H,1H3.
What are the key properties of 2-methylbenzo[b]quinolizin-6-one?
2-methylbenzo[b]quinolizin-6-one has a molecular weight of 209.25 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[b]quinolizin-6-one is sourced from PubChem (CID 2752779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).