7,8-difluoro-2-methyl-N-propylquinolin-4-amine

C13H14F2N2 — CID 62196946

IUPAC7,8-difluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2/c1-3-6-16-11-7-8(2)17-13-9(11)4-5-10(14)12(13)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyGTHIUBJWHQIJRZ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.64
Rot. Bonds3

About 7,8-difluoro-2-methyl-N-propylquinolin-4-amine

7,8-difluoro-2-methyl-N-propylquinolin-4-amine (PubChem CID 62196946) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-N-propylquinolin-4-amine
PubChem CID62196946
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name7,8-difluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2/c1-3-6-16-11-7-8(2)17-13-9(11)4-5-10(14)12(13)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyGTHIUBJWHQIJRZ-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 133499890
3-[(7,8-difluoro-2-methylquinolin-4-yl)amino]propan-1-ol
CID 133499965
4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133499860
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
2,5,8-trimethyl-N-propylquinolin-4-amine
CID 63480948
8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
8-(methoxymethyl)-2-methyl-N-propylquinolin-4-amine
CID 62197742
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498
7-chloro-2-cyclopropyl-8-fluoro-N-propylquinolin-4-amine
CID 63480363
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
2,6-dimethyl-N-propylpyridin-4-amine
CID 126976609
2-(difluoromethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55127386

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 7,8-difluoro-2-methyl-N-propylquinolin-4-amine (CID 62196946) is 7,8-difluoro-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 7,8-difluoro-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 7,8-difluoro-2-methyl-N-propylquinolin-4-amine is CCCNc1cc(C)nc2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-2-methyl-N-propylquinolin-4-amine?
The InChIKey is GTHIUBJWHQIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-3-6-16-11-7-8(2)17-13-9(11)4-5-10(14)12(13)15/h4-5,7H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 7,8-difluoro-2-methyl-N-propylquinolin-4-amine?
7,8-difluoro-2-methyl-N-propylquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 62196946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).