N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine

C18H22N4O2 — CID 31196666

IUPACN-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine
SMILESCOc1cc(OC)c2c(C)cc(NCCCn3ccnc3)nc2c1
InChIInChI=1S/C18H22N4O2/c1-13-9-17(20-5-4-7-22-8-6-19-12-22)21-15-10-14(23-2)11-16(24-3)18(13)15/h6,8-12H,4-5,7H2,1-3H3,(H,20,21)
InChIKeySJQZPZBQGSROQZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.26
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine

N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine (PubChem CID 31196666) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine
PubChem CID31196666
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine
SMILESCOc1cc(OC)c2c(C)cc(NCCCn3ccnc3)nc2c1
InChIInChI=1S/C18H22N4O2/c1-13-9-17(20-5-4-7-22-8-6-19-12-22)21-15-10-14(23-2)11-16(24-3)18(13)15/h6,8-12H,4-5,7H2,1-3H3,(H,20,21)
InChIKeySJQZPZBQGSROQZ-UHFFFAOYSA-N
XLogP3.26
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine 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 N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine (CID 31196666) is N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine is COc1cc(OC)c2c(C)cc(NCCCn3ccnc3)nc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?
The InChIKey is SJQZPZBQGSROQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-17(20-5-4-7-22-8-6-19-12-22)21-15-10-14(23-2)11-16(24-3)18(13)15/h6,8-12H,4-5,7H2,1-3H3,(H,20,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?
N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine is sourced from PubChem (CID 31196666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).