7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine

C13H15FN2O — CID 103996775

IUPAC7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
SMILESCOc1cc2c(N)cc(C(C)C)nc2cc1F
InChIInChI=1S/C13H15FN2O/c1-7(2)11-6-10(15)8-4-13(17-3)9(14)5-12(8)16-11/h4-7H,1-3H3,(H2,15,16)
InChIKeyKLVDFNHEOQDYBU-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.09
Rot. Bonds2

About 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine

7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine (PubChem CID 103996775) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
PubChem CID103996775
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
SMILESCOc1cc2c(N)cc(C(C)C)nc2cc1F
InChIInChI=1S/C13H15FN2O/c1-7(2)11-6-10(15)8-4-13(17-3)9(14)5-12(8)16-11/h4-7H,1-3H3,(H2,15,16)
InChIKeyKLVDFNHEOQDYBU-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
(6,7-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050862
2-(difluoromethyl)-6,7-difluoroquinolin-4-amine
CID 62890537
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
CID 91665053
6-bromo-2-propan-2-ylquinolin-4-amine
CID 62196777
5-fluoro-4-methoxy-2-(3-propan-2-ylpyrazol-1-yl)aniline
CID 55215306
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
7-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 62196606
2,5-difluoro-4-methoxyaniline
CID 45090681
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
7-chloro-6-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
CID 70252454

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine?
The IUPAC name of 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine (CID 103996775) is 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine?
The canonical SMILES for 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine is COc1cc2c(N)cc(C(C)C)nc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine?
The InChIKey is KLVDFNHEOQDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-7(2)11-6-10(15)8-4-13(17-3)9(14)5-12(8)16-11/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine?
7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine has a molecular weight of 234.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 103996775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).