5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine

C14H15BrF2N2 — CID 102855129

IUPAC5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(F)cc(F)c(Br)c2cc1C(C)C
InChIInChI=1S/C14H15BrF2N2/c1-4-18-14-8(7(2)3)5-9-12(15)10(16)6-11(17)13(9)19-14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyITDIDTZUEPNRNM-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.83
Rot. Bonds3

About 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine

5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine (PubChem CID 102855129) has the molecular formula C14H15BrF2N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
PubChem CID102855129
Molecular FormulaC14H15BrF2N2
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(F)cc(F)c(Br)c2cc1C(C)C
InChIInChI=1S/C14H15BrF2N2/c1-4-18-14-8(7(2)3)5-9-12(15)10(16)6-11(17)13(9)19-14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyITDIDTZUEPNRNM-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine (CID 102855129) is 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(F)cc(F)c(Br)c2cc1C(C)C.
What is the InChIKey of 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine?
The InChIKey is ITDIDTZUEPNRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2/c1-4-18-14-8(7(2)3)5-9-12(15)10(16)6-11(17)13(9)19-14/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine?
5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine has a molecular weight of 329.19 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 102855129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).