5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine

C16H21ClN2O2 — CID 63525424

IUPAC5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(OC)cc(OC)c(Cl)c2cc1C(C)C
InChIInChI=1S/C16H21ClN2O2/c1-6-18-16-10(9(2)3)7-11-14(17)12(20-4)8-13(21-5)15(11)19-16/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyMXMCRXSPBXQZJN-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.46
Rot. Bonds5

About 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine

5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine (PubChem CID 63525424) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
PubChem CID63525424
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(OC)cc(OC)c(Cl)c2cc1C(C)C
InChIInChI=1S/C16H21ClN2O2/c1-6-18-16-10(9(2)3)7-11-14(17)12(20-4)8-13(21-5)15(11)19-16/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyMXMCRXSPBXQZJN-UHFFFAOYSA-N
XLogP4.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-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 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine (CID 63525424) is 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(OC)cc(OC)c(Cl)c2cc1C(C)C.
What is the InChIKey of 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
The InChIKey is MXMCRXSPBXQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-6-18-16-10(9(2)3)7-11-14(17)12(20-4)8-13(21-5)15(11)19-16/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine?
5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine has a molecular weight of 308.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63525424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).