6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine

C14H17FN2 — CID 62913667

IUPAC6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCNc1c(C(C)C)c(C)nc2ccc(F)cc12
InChIInChI=1S/C14H17FN2/c1-8(2)13-9(3)17-12-6-5-10(15)7-11(12)14(13)16-4/h5-8H,1-4H3,(H,16,17)
InChIKeyZWRXQDOXGNMNMV-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.85
Rot. Bonds2

About 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine

6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine (PubChem CID 62913667) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
PubChem CID62913667
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCNc1c(C(C)C)c(C)nc2ccc(F)cc12
InChIInChI=1S/C14H17FN2/c1-8(2)13-9(3)17-12-6-5-10(15)7-11(12)14(13)16-4/h5-8H,1-4H3,(H,16,17)
InChIKeyZWRXQDOXGNMNMV-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine (CID 62913667) is 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine is CNc1c(C(C)C)c(C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is ZWRXQDOXGNMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-8(2)13-9(3)17-12-6-5-10(15)7-11(12)14(13)16-4/h5-8H,1-4H3,(H,16,17).
What are the key properties of 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 232.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 62913667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).