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

C22H21FN2OS — CID 141424205

IUPAC(2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
SMILESCOc1cc(C)c2ncc3sc(F)cc3c2c1-c1ccc([C@@H](C)CN)cc1
InChIInChI=1S/C22H21FN2OS/c1-12-8-17(26-3)20(15-6-4-14(5-7-15)13(2)10-24)21-16-9-19(23)27-18(16)11-25-22(12)21/h4-9,11,13H,10,24H2,1-3H3/t13-/m0/s1
InChIKeyGZRQANRGKVZMMB-ZDUSSCGKSA-N
MW380.49 g/mol
LogP5.63
Rot. Bonds4

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

(2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine (PubChem CID 141424205) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
PubChem CID141424205
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name(2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
SMILESCOc1cc(C)c2ncc3sc(F)cc3c2c1-c1ccc([C@@H](C)CN)cc1
InChIInChI=1S/C22H21FN2OS/c1-12-8-17(26-3)20(15-6-4-14(5-7-15)13(2)10-24)21-16-9-19(23)27-18(16)11-25-22(12)21/h4-9,11,13H,10,24H2,1-3H3/t13-/m0/s1
InChIKeyGZRQANRGKVZMMB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-indol-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
CID 169136033
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948
11-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 3318667
9-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 4097776
1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11461669
N-ethyl-N-[[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]methyl]ethanamine
CID 67018380
2-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
CID 67018419
9-[4-[1-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449244
9-[4-[2-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449245
N-(1,3-benzothiazol-5-ylmethyl)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
CID 69656703
9-[4-(2-Aminoethyl)-3-fluorophenyl]-8-hydroxythieno[2,3-c]quinolin
CID 86689556
2-[2-Fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
CID 89675846

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The IUPAC name of (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine (CID 141424205) is (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The canonical SMILES for (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine is COc1cc(C)c2ncc3sc(F)cc3c2c1-c1ccc([C@@H](C)CN)cc1.
What is the InChIKey of (2R)-2-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
The InChIKey is GZRQANRGKVZMMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-12-8-17(26-3)20(15-6-4-14(5-7-15)13(2)10-24)21-16-9-19(23)27-18(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-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine?
(2R)-2-[4-(2-fluoro-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-[4-(2-fluoro-8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine is sourced from PubChem (CID 141424205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).