5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine

C15H17BrN2O — CID 63481850

IUPAC5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(OC)ccc(Br)c12
InChIInChI=1S/C15H17BrN2O/c1-3-17-12-8-11(9-4-5-9)18-15-13(19-2)7-6-10(16)14(12)15/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyCLYINPVJBTYANR-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine

5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine (PubChem CID 63481850) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine
PubChem CID63481850
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(OC)ccc(Br)c12
InChIInChI=1S/C15H17BrN2O/c1-3-17-12-8-11(9-4-5-9)18-15-13(19-2)7-6-10(16)14(12)15/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyCLYINPVJBTYANR-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
CID 63484561
5-bromo-2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357753
2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
CID 114257965
5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
CID 55222432
6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
CID 81287597
2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357697
(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine
CID 63358069
5-bromo-8-methoxy-2-propylquinolin-4-amine
CID 55211682
2-cyclopropyl-N-ethyl-8-fluoroquinolin-4-amine
CID 55190878
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine?
The IUPAC name of 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine (CID 63481850) is 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine is CCNc1cc(C2CC2)nc2c(OC)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine?
The InChIKey is CLYINPVJBTYANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-12-8-11(9-4-5-9)18-15-13(19-2)7-6-10(16)14(12)15/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine?
5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine is sourced from PubChem (CID 63481850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).