5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine

C15H18Br2N2 — CID 63482930

IUPAC5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C15H18Br2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYGAVXBFJPPIETJ-UHFFFAOYSA-N
MW386.13 g/mol
LogP5.45
Rot. Bonds4

About 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine

5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine (PubChem CID 63482930) has the molecular formula C15H18Br2N2 and a molecular weight of 386.13 g/mol. Its IUPAC name is 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
PubChem CID63482930
Molecular FormulaC15H18Br2N2
Molecular Weight386.13 g/mol
Exact Mass383.98
IUPAC Name5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C15H18Br2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYGAVXBFJPPIETJ-UHFFFAOYSA-N
XLogP5.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.13
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2,5,8-trimethyl-N-propylquinolin-4-amine
CID 55196722
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
(5-bromo-3-ethyl-8-fluoro-2-methylquinolin-4-yl)hydrazine
CID 62250940
3-ethyl-2,7,8-trimethyl-N-propylquinolin-4-amine
CID 63480442
5-bromo-3-ethyl-8-methoxy-N,2-dimethylquinolin-4-amine
CID 63483485
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002
3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479608
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
CID 63480478
5,8-dibromo-N,2,3-trimethylquinolin-4-amine
CID 63483840
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
6,8-dibromo-3-ethyl-5-methoxy-N,2-dimethylquinolin-4-amine
CID 103416750

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine (CID 63482930) is 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2c(Br)ccc(Br)c12.
What is the InChIKey of 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The InChIKey is YGAVXBFJPPIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine?
5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine has a molecular weight of 386.13 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63482930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).