6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine

C18H17BrFN3 — CID 123318659

IUPAC6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine
SMILESCN(C)Cc1ccc(Nc2ccnc3cc(F)c(Br)cc23)cc1
InChIInChI=1S/C18H17BrFN3/c1-23(2)11-12-3-5-13(6-4-12)22-17-7-8-21-18-10-16(20)15(19)9-14(17)18/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyGFNOOPRQXOQMFJ-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.94
Rot. Bonds4

About 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine

6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine (PubChem CID 123318659) has the molecular formula C18H17BrFN3 and a molecular weight of 374.26 g/mol. Its IUPAC name is 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine
PubChem CID123318659
Molecular FormulaC18H17BrFN3
Molecular Weight374.26 g/mol
Exact Mass373.06
IUPAC Name6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine
SMILESCN(C)Cc1ccc(Nc2ccnc3cc(F)c(Br)cc23)cc1
InChIInChI=1S/C18H17BrFN3/c1-23(2)11-12-3-5-13(6-4-12)22-17-7-8-21-18-10-16(20)15(19)9-14(17)18/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyGFNOOPRQXOQMFJ-UHFFFAOYSA-N
XLogP4.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
CID 58499078
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
CID 103001760
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
N-(3-bromophenyl)-6-ethylquinolin-4-amine
CID 53264754
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
6,7-difluoro-N-propylquinolin-4-amine
CID 62190279
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
7-[5-[(dimethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinolin-4-amine
CID 44532455
N-[4-(chloromethyl)phenyl]quinolin-4-amine
CID 65029423

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine?
The IUPAC name of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine (CID 123318659) is 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine.
What is the SMILES notation for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine?
The canonical SMILES for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine is CN(C)Cc1ccc(Nc2ccnc3cc(F)c(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine?
The InChIKey is GFNOOPRQXOQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3/c1-23(2)11-12-3-5-13(6-4-12)22-17-7-8-21-18-10-16(20)15(19)9-14(17)18/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine?
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine has a molecular weight of 374.26 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine is sourced from PubChem (CID 123318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).