1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one

C22H20N2O2 — CID 156903673

IUPAC1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one
SMILESCNc1ccc(C=CC=CC(=O)c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H20N2O2/c1-23-18-10-7-16(8-11-18)5-3-4-6-22(25)21-13-9-17-15-19(26-2)12-14-20(17)24-21/h3-15,23H,1-2H3
InChIKeyQGVKMTSAFVSNKR-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.74
Rot. Bonds6

About 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one

1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one (PubChem CID 156903673) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one.

Molecular Properties

Compound Name1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one
PubChem CID156903673
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one
SMILESCNc1ccc(C=CC=CC(=O)c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H20N2O2/c1-23-18-10-7-16(8-11-18)5-3-4-6-22(25)21-13-9-17-15-19(26-2)12-14-20(17)24-21/h3-15,23H,1-2H3
InChIKeyQGVKMTSAFVSNKR-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
(2E,4E)-1-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127041913
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one?
The IUPAC name of 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one (CID 156903673) is 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one.
What is the SMILES notation for 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one?
The canonical SMILES for 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one is CNc1ccc(C=CC=CC(=O)c2ccc3cc(OC)ccc3n2)cc1.
What is the InChIKey of 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one?
The InChIKey is QGVKMTSAFVSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-23-18-10-7-16(8-11-18)5-3-4-6-22(25)21-13-9-17-15-19(26-2)12-14-20(17)24-21/h3-15,23H,1-2H3.
What are the key properties of 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one?
1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one has a molecular weight of 344.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinolin-2-yl)-5-[4-(methylamino)phenyl]penta-2,4-dien-1-one is sourced from PubChem (CID 156903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).