6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine

C15H18Br2N2O2 — CID 103416760

IUPAC6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(Br)cc(Br)c(OC)c12
InChIInChI=1S/C15H18Br2N2O2/c1-4-5-18-12-6-9(8-20-2)19-14-10(16)7-11(17)15(21-3)13(12)14/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyVCARFPMMICHKGQ-UHFFFAOYSA-N
MW418.13 g/mol
LogP4.74
Rot. Bonds6

About 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine

6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine (PubChem CID 103416760) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
PubChem CID103416760
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC Name6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(Br)cc(Br)c(OC)c12
InChIInChI=1S/C15H18Br2N2O2/c1-4-5-18-12-6-9(8-20-2)19-14-10(16)7-11(17)15(21-3)13(12)14/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyVCARFPMMICHKGQ-UHFFFAOYSA-N
XLogP4.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
CID 107628600
6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 62319897
6,8-dibromo-5-methoxy-N-methyl-2-propylquinolin-4-amine
CID 103416764
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 107531260
2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55062350
6,8-dichloro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062733
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 107628624
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
[6,8-dibromo-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62318850
8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62319901
6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062783

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine?
The IUPAC name of 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine (CID 103416760) is 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine.
What is the SMILES notation for 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine?
The canonical SMILES for 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2c(Br)cc(Br)c(OC)c12.
What is the InChIKey of 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine?
The InChIKey is VCARFPMMICHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-4-5-18-12-6-9(8-20-2)19-14-10(16)7-11(17)15(21-3)13(12)14/h6-7H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine?
6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine has a molecular weight of 418.13 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine is sourced from PubChem (CID 103416760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).