8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

C16H21ClN2 — CID 63480623

IUPAC8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-5-9-18-16-12-7-6-8-13(17)15(12)19-11(4)14(16)10(2)3/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyMXOSOXVEKBGXCZ-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.14
Rot. Bonds4

About 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63480623) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63480623
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-5-9-18-16-12-7-6-8-13(17)15(12)19-11(4)14(16)10(2)3/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKeyMXOSOXVEKBGXCZ-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-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 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 63480623) is 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is MXOSOXVEKBGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-5-9-18-16-12-7-6-8-13(17)15(12)19-11(4)14(16)10(2)3/h6-8,10H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).