9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C22H22N2O2S — CID 67447177

IUPAC9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCC(N)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-4-16(23)13-5-7-14(8-6-13)18-17(26-3)11-12(2)20-19(18)15-9-10-27-21(15)22(25)24-20/h5-11,16H,4,23H2,1-3H3,(H,24,25)
InChIKeyKCLWEERDMRRSAJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.14
Rot. Bonds4

About 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447177) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447177
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCC(N)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H22N2O2S/c1-4-16(23)13-5-7-14(8-6-13)18-17(26-3)11-12(2)20-19(18)15-9-10-27-21(15)22(25)24-20/h5-11,16H,4,23H2,1-3H3,(H,24,25)
InChIKeyKCLWEERDMRRSAJ-UHFFFAOYSA-N
XLogP5.14
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 123731582
9-[4-[4-(dimethylamino)butan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450415
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67452462
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448808
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966
9-[4-(1-aminobutyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163590116
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448833
9-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-6-bromo-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447571
9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 67447177) is 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is CCC(N)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is KCLWEERDMRRSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-4-16(23)13-5-7-14(8-6-13)18-17(26-3)11-12(2)20-19(18)15-9-10-27-21(15)22(25)24-20/h5-11,16H,4,23H2,1-3H3,(H,24,25).
What are the key properties of 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 378.50 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).