8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one

C14H11NO2 — CID 168990448

IUPAC8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one
SMILESC/C=C\C1=C(C)c2ncccc2C(=C=O)C1=O
InChIInChI=1S/C14H11NO2/c1-3-5-10-9(2)13-11(6-4-7-15-13)12(8-16)14(10)17/h3-7H,1-2H3/b5-3-
InChIKeyPRGNYCVVAKMDGN-HYXAFXHYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

About 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one

8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one (PubChem CID 168990448) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one.

Molecular Properties

Compound Name8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one
PubChem CID168990448
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one
SMILESC/C=C\C1=C(C)c2ncccc2C(=C=O)C1=O
InChIInChI=1S/C14H11NO2/c1-3-5-10-9(2)13-11(6-4-7-15-13)12(8-16)14(10)17/h3-7H,1-2H3/b5-3-
InChIKeyPRGNYCVVAKMDGN-HYXAFXHYSA-N
XLogP2.23
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one?
The IUPAC name of 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one (CID 168990448) is 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one.
What is the SMILES notation for 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one?
The canonical SMILES for 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one is C/C=C\C1=C(C)c2ncccc2C(=C=O)C1=O.
What is the InChIKey of 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one?
The InChIKey is PRGNYCVVAKMDGN-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-3-5-10-9(2)13-11(6-4-7-15-13)12(8-16)14(10)17/h3-7H,1-2H3/b5-3-.
What are the key properties of 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one?
8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(oxomethylidene)-7-[(Z)-prop-1-enyl]quinolin-6-one is sourced from PubChem (CID 168990448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).