9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C22H27NO2S — CID 160583228

IUPAC9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1CCCCC1CCCCC1
InChIInChI=1S/C22H27NO2S/c1-25-19-12-11-18-20(17-13-14-26-21(17)22(24)23-18)16(19)10-6-5-9-15-7-3-2-4-8-15/h11-15H,2-10H2,1H3,(H,23,24)
InChIKeyRCBBZZOHEVEJSZ-UHFFFAOYSA-N
MW369.53 g/mol
LogP6.04
Rot. Bonds6

About 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 160583228) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID160583228
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1CCCCC1CCCCC1
InChIInChI=1S/C22H27NO2S/c1-25-19-12-11-18-20(17-13-14-26-21(17)22(24)23-18)16(19)10-6-5-9-15-7-3-2-4-8-15/h11-15H,2-10H2,1H3,(H,23,24)
InChIKeyRCBBZZOHEVEJSZ-UHFFFAOYSA-N
XLogP6.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[4-[2-(cyclopentylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67446791
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 123206643
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447559
3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
CID 67449423
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447737
9-[4-(1-aminobutyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163590116
tert-butyl N-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]-N-(2-methylpropyl)carbamate
CID 67448637
[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
CID 67449733

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 160583228) is 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1CCCCC1CCCCC1.
What is the InChIKey of 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is RCBBZZOHEVEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-25-19-12-11-18-20(17-13-14-26-21(17)22(24)23-18)16(19)10-6-5-9-15-7-3-2-4-8-15/h11-15H,2-10H2,1H3,(H,23,24).
What are the key properties of 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 369.53 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 160583228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).