6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine

C15H15BrF2N2 — CID 107616783

IUPAC6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CC2)nc2c(F)cc(Br)c(F)c12
InChIInChI=1S/C15H15BrF2N2/c1-2-5-19-12-7-11(8-3-4-8)20-15-10(17)6-9(16)14(18)13(12)15/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyUDJCWYNVZJMPMD-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.97
Rot. Bonds4

About 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine

6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine (PubChem CID 107616783) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
PubChem CID107616783
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CC2)nc2c(F)cc(Br)c(F)c12
InChIInChI=1S/C15H15BrF2N2/c1-2-5-19-12-7-11(8-3-4-8)20-15-10(17)6-9(16)14(18)13(12)15/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyUDJCWYNVZJMPMD-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

7-chloro-2-cyclopropyl-8-fluoro-N-propylquinolin-4-amine
CID 63480363
5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
CID 63484561
7-bromo-2-cyclopentyl-8-methyl-N-propylquinolin-4-amine
CID 107628646
2-cyclopropyl-8-methyl-N-propylquinolin-4-amine
CID 63358059
2-cyclopropyl-N-ethyl-8-fluoroquinolin-4-amine
CID 55190878
8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
CID 107628758
5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854971
6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
CID 107628798
5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine
CID 63481850
2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
CID 114257965
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
(2-cyclopentyl-5,8-difluoro-6-methylquinolin-4-yl)hydrazine
CID 103587418

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine?
The IUPAC name of 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine (CID 107616783) is 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine is CCCNc1cc(C2CC2)nc2c(F)cc(Br)c(F)c12.
What is the InChIKey of 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine?
The InChIKey is UDJCWYNVZJMPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-2-5-19-12-7-11(8-3-4-8)20-15-10(17)6-9(16)14(18)13(12)15/h6-8H,2-5H2,1H3,(H,19,20).
What are the key properties of 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine?
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine has a molecular weight of 341.20 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine is sourced from PubChem (CID 107616783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).