6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine

C11H7BrCl2F2N2 — CID 114002166

IUPAC6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2c(Cl)c(Cl)c(Br)cc12
InChIInChI=1S/C11H7BrCl2F2N2/c1-17-6-3-7(11(15)16)18-10-4(6)2-5(12)8(13)9(10)14/h2-3,11H,1H3,(H,17,18)
InChIKeyYBRSCUWKCNQQSO-UHFFFAOYSA-N
MW356.00 g/mol
LogP5.28
Rot. Bonds2

About 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine

6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine (PubChem CID 114002166) has the molecular formula C11H7BrCl2F2N2 and a molecular weight of 356.00 g/mol. Its IUPAC name is 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
PubChem CID114002166
Molecular FormulaC11H7BrCl2F2N2
Molecular Weight356.00 g/mol
Exact Mass353.91
IUPAC Name6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2c(Cl)c(Cl)c(Br)cc12
InChIInChI=1S/C11H7BrCl2F2N2/c1-17-6-3-7(11(15)16)18-10-4(6)2-5(12)8(13)9(10)14/h2-3,11H,1H3,(H,17,18)
InChIKeyYBRSCUWKCNQQSO-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.00
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 113363437
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
CID 113445330
6-bromo-8-chloro-2-ethyl-N-methylquinolin-4-amine
CID 63479737
4-bromo-3-chloro-6-(difluoromethyl)pyridin-2-amine
CID 118995060
[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 107794014
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
CID 107629088
6-bromo-4,7,8-trichloro-2-methylquinoline
CID 107792863
[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
CID 81288815
7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62892094
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine?
The IUPAC name of 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine (CID 114002166) is 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine is CNc1cc(C(F)F)nc2c(Cl)c(Cl)c(Br)cc12.
What is the InChIKey of 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine?
The InChIKey is YBRSCUWKCNQQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2F2N2/c1-17-6-3-7(11(15)16)18-10-4(6)2-5(12)8(13)9(10)14/h2-3,11H,1H3,(H,17,18).
What are the key properties of 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine?
6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine has a molecular weight of 356.00 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 114002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).