(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O5 — CID 45139825

IUPAC(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,21H2,1-4H3
InChIKeyHBQYPNDXFXSVNP-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.08
Rot. Bonds6

About (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45139825) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45139825
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,21H2,1-4H3
InChIKeyHBQYPNDXFXSVNP-UHFFFAOYSA-N
XLogP3.08
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 45139825) is (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc3c(N)c(OC)ccc3n2)cc(OC)c1OC.
What is the InChIKey of (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HBQYPNDXFXSVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,21H2,1-4H3.
What are the key properties of (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 368.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45139825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).