(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine

C22H21FN2OS — CID 141424082

IUPAC(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
SMILESCOc1cc(C)c2ncc3sccc3c2c1-c1ccc([C@@H](C)CN)c(F)c1
InChIInChI=1S/C22H21FN2OS/c1-12-8-18(26-3)20(14-4-5-15(13(2)10-24)17(23)9-14)21-16-6-7-27-19(16)11-25-22(12)21/h4-9,11,13H,10,24H2,1-3H3/t13-/m0/s1
InChIKeyKHUQRETZXYEFMM-ZDUSSCGKSA-N
MW380.49 g/mol
LogP5.63
Rot. Bonds4

About (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine

(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine (PubChem CID 141424082) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
PubChem CID141424082
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
SMILESCOc1cc(C)c2ncc3sccc3c2c1-c1ccc([C@@H](C)CN)c(F)c1
InChIInChI=1S/C22H21FN2OS/c1-12-8-18(26-3)20(14-4-5-15(13(2)10-24)17(23)9-14)21-16-6-7-27-19(16)11-25-22(12)21/h4-9,11,13H,10,24H2,1-3H3/t13-/m0/s1
InChIKeyKHUQRETZXYEFMM-ZDUSSCGKSA-N
XLogP5.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The IUPAC name of (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine (CID 141424082) is (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The canonical SMILES for (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine is COc1cc(C)c2ncc3sccc3c2c1-c1ccc([C@@H](C)CN)c(F)c1.
What is the InChIKey of (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The InChIKey is KHUQRETZXYEFMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-12-8-18(26-3)20(14-4-5-15(13(2)10-24)17(23)9-14)21-16-6-7-27-19(16)11-25-22(12)21/h4-9,11,13H,10,24H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
(2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine has a molecular weight of 380.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine is sourced from PubChem (CID 141424082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).