3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine

C17H22F2N2 — CID 103587511

IUPAC3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)cc(C)c(F)c2cc1C(C)(C)C
InChIInChI=1S/C17H22F2N2/c1-6-7-20-16-12(17(3,4)5)9-11-14(19)10(2)8-13(18)15(11)21-16/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyVHKGAGQFBIGVEP-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.94
Rot. Bonds3

About 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine

3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine (PubChem CID 103587511) has the molecular formula C17H22F2N2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
PubChem CID103587511
Molecular FormulaC17H22F2N2
Molecular Weight292.37 g/mol
Exact Mass292.18
IUPAC Name3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)cc(C)c(F)c2cc1C(C)(C)C
InChIInChI=1S/C17H22F2N2/c1-6-7-20-16-12(17(3,4)5)9-11-14(19)10(2)8-13(18)15(11)21-16/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyVHKGAGQFBIGVEP-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-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

Related Compounds

3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587512
N-ethyl-5,8-difluoro-6-methyl-3-propylquinolin-2-amine
CID 103587506
N,3-diethyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587507
(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
CID 63386017
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
CID 103587513
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
6-fluoro-3,8-dimethyl-N-propylquinolin-2-amine
CID 63232719
3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
CID 63232523
8-fluoro-6-methyl-N,3-dipropylquinolin-2-amine
CID 63524705
3-ethyl-5,7,8-trifluoro-N-propylquinolin-2-amine
CID 63523674

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine (CID 103587511) is 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine is CCCNc1nc2c(F)cc(C)c(F)c2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine?
The InChIKey is VHKGAGQFBIGVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2/c1-6-7-20-16-12(17(3,4)5)9-11-14(19)10(2)8-13(18)15(11)21-16/h8-9H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine?
3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine has a molecular weight of 292.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine is sourced from PubChem (CID 103587511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).