6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine

C14H15BrCl2N2 — CID 107793852

IUPAC6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(Cl)c(Cl)c(Br)cc12
InChIInChI=1S/C14H15BrCl2N2/c1-4-5-18-13-7(2)8(3)19-14-9(13)6-10(15)11(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyXHFCAGDNBYVFFM-UHFFFAOYSA-N
MW362.10 g/mol
LogP5.74
Rot. Bonds3

About 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine

6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 107793852) has the molecular formula C14H15BrCl2N2 and a molecular weight of 362.10 g/mol. Its IUPAC name is 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID107793852
Molecular FormulaC14H15BrCl2N2
Molecular Weight362.10 g/mol
Exact Mass359.98
IUPAC Name6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(Cl)c(Cl)c(Br)cc12
InChIInChI=1S/C14H15BrCl2N2/c1-4-5-18-13-7(2)8(3)19-14-9(13)6-10(15)11(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyXHFCAGDNBYVFFM-UHFFFAOYSA-N
XLogP5.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.10
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine (CID 107793852) is 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2c(Cl)c(Cl)c(Br)cc12.
What is the InChIKey of 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is XHFCAGDNBYVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2/c1-4-5-18-13-7(2)8(3)19-14-9(13)6-10(15)11(16)12(14)17/h6H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine?
6-bromo-7,8-dichloro-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 362.10 g/mol, XLogP of 5.74, 3 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-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107793852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).