2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol

C20H22ClN3O — CID 24814634

IUPAC2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1O
InChIInChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-6-5-7-18(20(14)25)23-17-10-11-22-19-12-15(21)8-9-16(17)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyOHVRPDAHQQMVAD-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.18
Rot. Bonds6

About 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol

2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol (PubChem CID 24814634) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
PubChem CID24814634
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1O
InChIInChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-6-5-7-18(20(14)25)23-17-10-11-22-19-12-15(21)8-9-16(17)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyOHVRPDAHQQMVAD-UHFFFAOYSA-N
XLogP5.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol 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 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol (CID 24814634) is 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol is CCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1O.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol?
The InChIKey is OHVRPDAHQQMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-6-5-7-18(20(14)25)23-17-10-11-22-19-12-15(21)8-9-16(17)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol?
2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol has a molecular weight of 355.87 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol is sourced from PubChem (CID 24814634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).