9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol

C22H21FN2OS — CID 141424283

IUPAC9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCc1cc(O)c(-c2ccc(C(C)(C)CN)c(F)c2)c2c1ncc1sccc12
InChIInChI=1S/C22H21FN2OS/c1-12-8-17(26)19(20-14-6-7-27-18(14)10-25-21(12)20)13-4-5-15(16(23)9-13)22(2,3)11-24/h4-10,26H,11,24H2,1-3H3
InChIKeyPRPQZHCCQJEPMF-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.51
Rot. Bonds3

About 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol

9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol (PubChem CID 141424283) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol
PubChem CID141424283
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCc1cc(O)c(-c2ccc(C(C)(C)CN)c(F)c2)c2c1ncc1sccc12
InChIInChI=1S/C22H21FN2OS/c1-12-8-17(26)19(20-14-6-7-27-18(14)10-25-21(12)20)13-4-5-15(16(23)9-13)22(2,3)11-24/h4-10,26H,11,24H2,1-3H3
InChIKeyPRPQZHCCQJEPMF-UHFFFAOYSA-N
XLogP5.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol (CID 141424283) is 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol is Cc1cc(O)c(-c2ccc(C(C)(C)CN)c(F)c2)c2c1ncc1sccc12.
What is the InChIKey of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The InChIKey is PRPQZHCCQJEPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-12-8-17(26)19(20-14-6-7-27-18(14)10-25-21(12)20)13-4-5-15(16(23)9-13)22(2,3)11-24/h4-10,26H,11,24H2,1-3H3.
What are the key properties of 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol has a molecular weight of 380.49 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-amino-2-methylpropan-2-yl)-3-fluorophenyl]-6-methylthieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).