9-methylchromeno[4,3-b]quinolin-6-one

C17H11NO2 — CID 2825585

IUPAC9-methylchromeno[4,3-b]quinolin-6-one
SMILESCc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13
InChIInChI=1S/C17H11NO2/c1-10-6-7-14-11(8-10)9-13-16(18-14)12-4-2-3-5-15(12)20-17(13)19/h2-9H,1H3
InChIKeyAKTSTRRLOLYTSZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.80
Rot. Bonds

About 9-methylchromeno[4,3-b]quinolin-6-one

9-methylchromeno[4,3-b]quinolin-6-one (PubChem CID 2825585) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 9-methylchromeno[4,3-b]quinolin-6-one.

Molecular Properties

Compound Name9-methylchromeno[4,3-b]quinolin-6-one
PubChem CID2825585
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name9-methylchromeno[4,3-b]quinolin-6-one
SMILESCc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13
InChIInChI=1S/C17H11NO2/c1-10-6-7-14-11(8-10)9-13-16(18-14)12-4-2-3-5-15(12)20-17(13)19/h2-9H,1H3
InChIKeyAKTSTRRLOLYTSZ-UHFFFAOYSA-N
XLogP3.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methylchromeno[4,3-b]quinolin-6-one?
The IUPAC name of 9-methylchromeno[4,3-b]quinolin-6-one (CID 2825585) is 9-methylchromeno[4,3-b]quinolin-6-one.
What is the SMILES notation for 9-methylchromeno[4,3-b]quinolin-6-one?
The canonical SMILES for 9-methylchromeno[4,3-b]quinolin-6-one is Cc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13.
What is the InChIKey of 9-methylchromeno[4,3-b]quinolin-6-one?
The InChIKey is AKTSTRRLOLYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c1-10-6-7-14-11(8-10)9-13-16(18-14)12-4-2-3-5-15(12)20-17(13)19/h2-9H,1H3.
What are the key properties of 9-methylchromeno[4,3-b]quinolin-6-one?
9-methylchromeno[4,3-b]quinolin-6-one has a molecular weight of 261.28 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylchromeno[4,3-b]quinolin-6-one is sourced from PubChem (CID 2825585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).