6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine

C14H16BrFN2 — CID 103996873

IUPAC6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2cc(F)c(Br)cc12
InChIInChI=1S/C14H16BrFN2/c1-4-5-17-14-8(2)9(3)18-13-7-12(16)11(15)6-10(13)14/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyIXYSYRJCZFWDNP-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.58
Rot. Bonds3

About 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine

6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 103996873) has the molecular formula C14H16BrFN2 and a molecular weight of 311.20 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID103996873
Molecular FormulaC14H16BrFN2
Molecular Weight311.20 g/mol
Exact Mass310.05
IUPAC Name6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2cc(F)c(Br)cc12
InChIInChI=1S/C14H16BrFN2/c1-4-5-17-14-8(2)9(3)18-13-7-12(16)11(15)6-10(13)14/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyIXYSYRJCZFWDNP-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
CID 62203936
6,7-dimethoxy-2,3-dimethyl-N-propylquinolin-4-amine
CID 62203946
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744755
6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine
CID 107793852
6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 63480524
6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
CID 63481112
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 63482944
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222
7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
CID 104722062

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine (CID 103996873) is 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2cc(F)c(Br)cc12.
What is the InChIKey of 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is IXYSYRJCZFWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2/c1-4-5-17-14-8(2)9(3)18-13-7-12(16)11(15)6-10(13)14/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine?
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 311.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 103996873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).