1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride

C20H28ClN3O2 — CID 53422323

IUPAC1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride
SMILESC=CCN(CC=C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-5-10-23(11-6-2)15-20(3,24)14-22-18-13-17(25-4)12-16-8-7-9-21-19(16)18;/h5-9,12-13,22,24H,1-2,10-11,14-15H2,3-4H3;1H
InChIKeyBWYZFHIBRJQYOZ-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.50
Rot. Bonds10

About 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride

1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride (PubChem CID 53422323) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride
PubChem CID53422323
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride
SMILESC=CCN(CC=C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-5-10-23(11-6-2)15-20(3,24)14-22-18-13-17(25-4)12-16-8-7-9-21-19(16)18;/h5-9,12-13,22,24H,1-2,10-11,14-15H2,3-4H3;1H
InChIKeyBWYZFHIBRJQYOZ-UHFFFAOYSA-N
XLogP3.50
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride 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 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride (CID 53422323) is 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride is C=CCN(CC=C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is BWYZFHIBRJQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-5-10-23(11-6-2)15-20(3,24)14-22-18-13-17(25-4)12-16-8-7-9-21-19(16)18;/h5-9,12-13,22,24H,1-2,10-11,14-15H2,3-4H3;1H.
What are the key properties of 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride?
1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 53422323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).