8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine

C16H21FN2 — CID 63479615

IUPAC8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(F)cc(C)cc12
InChIInChI=1S/C16H21FN2/c1-5-6-18-15-9-14(10(2)3)19-16-12(15)7-11(4)8-13(16)17/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyZRVZJQZDHCLLPL-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.63
Rot. Bonds4

About 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine

8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63479615) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63479615
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(F)cc(C)cc12
InChIInChI=1S/C16H21FN2/c1-5-6-18-15-9-14(10(2)3)19-16-12(15)7-11(4)8-13(16)17/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyZRVZJQZDHCLLPL-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine (CID 63479615) is 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine is CCCNc1cc(C(C)C)nc2c(F)cc(C)cc12.
What is the InChIKey of 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is ZRVZJQZDHCLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-5-6-18-15-9-14(10(2)3)19-16-12(15)7-11(4)8-13(16)17/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine?
8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63479615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).