9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

C22H22N2OS — CID 141424217

IUPAC9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCCC(CN)c1ccc(-c2c(O)cc(C)c3ncc4sccc4c23)cc1
InChIInChI=1S/C22H22N2OS/c1-3-14(11-23)15-4-6-16(7-5-15)20-18(25)10-13(2)22-21(20)17-8-9-26-19(17)12-24-22/h4-10,12,14,25H,3,11,23H2,1-2H3
InChIKeyLIKFXDGLWWONGP-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.58
Rot. Bonds4

About 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (PubChem CID 141424217) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
PubChem CID141424217
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCCC(CN)c1ccc(-c2c(O)cc(C)c3ncc4sccc4c23)cc1
InChIInChI=1S/C22H22N2OS/c1-3-14(11-23)15-4-6-16(7-5-15)20-18(25)10-13(2)22-21(20)17-8-9-26-19(17)12-24-22/h4-10,12,14,25H,3,11,23H2,1-2H3
InChIKeyLIKFXDGLWWONGP-UHFFFAOYSA-N
XLogP5.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
CID 141424143
9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424138
6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424064
9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
CID 141424068
6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424204
9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424153
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 71245154
9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424166
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (CID 141424217) is 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is CCC(CN)c1ccc(-c2c(O)cc(C)c3ncc4sccc4c23)cc1.
What is the InChIKey of 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The InChIKey is LIKFXDGLWWONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-3-14(11-23)15-4-6-16(7-5-15)20-18(25)10-13(2)22-21(20)17-8-9-26-19(17)12-24-22/h4-10,12,14,25H,3,11,23H2,1-2H3.
What are the key properties of 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol has a molecular weight of 362.50 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).