(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone

C12H11NO2 — CID 174356163

IUPAC(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone
SMILESCOc1ccc2c(c1)=CC(=C=O)C(C)N=2
InChIInChI=1S/C12H11NO2/c1-8-10(7-14)5-9-6-11(15-2)3-4-12(9)13-8/h3-6,8H,1-2H3
InChIKeyCKFMNKHEMUAIOH-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.26
Rot. Bonds1

About (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone

(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone (PubChem CID 174356163) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone.

Molecular Properties

Compound Name(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone
PubChem CID174356163
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone
SMILESCOc1ccc2c(c1)=CC(=C=O)C(C)N=2
InChIInChI=1S/C12H11NO2/c1-8-10(7-14)5-9-6-11(15-2)3-4-12(9)13-8/h3-6,8H,1-2H3
InChIKeyCKFMNKHEMUAIOH-UHFFFAOYSA-N
XLogP0.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone?
The IUPAC name of (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone (CID 174356163) is (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone.
What is the SMILES notation for (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone?
The canonical SMILES for (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone is COc1ccc2c(c1)=CC(=C=O)C(C)N=2.
What is the InChIKey of (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone?
The InChIKey is CKFMNKHEMUAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-10(7-14)5-9-6-11(15-2)3-4-12(9)13-8/h3-6,8H,1-2H3.
What are the key properties of (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone?
(6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone has a molecular weight of 201.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-methyl-2H-quinolin-3-ylidene)methanone is sourced from PubChem (CID 174356163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).