2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine

C16H20Cl2N2 — CID 63479601

IUPAC2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C16H20Cl2N2/c1-5-8-19-12-9-13(16(2,3)4)20-15-10(12)6-7-11(17)14(15)18/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyHDRUFIGPKIEQST-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.66
Rot. Bonds3

About 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine

2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine (PubChem CID 63479601) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
PubChem CID63479601
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C16H20Cl2N2/c1-5-8-19-12-9-13(16(2,3)4)20-15-10(12)6-7-11(17)14(15)18/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyHDRUFIGPKIEQST-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-7,8-dichloro-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

Related Compounds

2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
1-(2-tert-butyl-7,8-dichloroquinolin-4-yl)-N-methylmethanamine
CID 82449353
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
CID 63480755
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
CID 63479725
2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
CID 63481474
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
7-chloro-2-cyclopropyl-8-fluoro-N-propylquinolin-4-amine
CID 63480363

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine (CID 63479601) is 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine is CCCNc1cc(C(C)(C)C)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine?
The InChIKey is HDRUFIGPKIEQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-5-8-19-12-9-13(16(2,3)4)20-15-10(12)6-7-11(17)14(15)18/h6-7,9H,5,8H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine?
2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine has a molecular weight of 311.26 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine is sourced from PubChem (CID 63479601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).