[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

C26H27N3O4S — CID 67449733

IUPAC[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCC(N(C)C(=O)O)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-28(26(31)32)18-9-12-29(13-10-18)15-16-3-5-17(6-4-16)22-21(33-2)8-7-20-23(22)19-11-14-34-24(19)25(30)27-20/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyXIZYAMGGJHOOHN-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.99
Rot. Bonds5

About [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 67449733) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID67449733
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCC(N(C)C(=O)O)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-28(26(31)32)18-9-12-29(13-10-18)15-16-3-5-17(6-4-16)22-21(33-2)8-7-20-23(22)19-11-14-34-24(19)25(30)27-20/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyXIZYAMGGJHOOHN-UHFFFAOYSA-N
XLogP4.99
TPSA85.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid with MolForge

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Related Compounds

9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
tert-butyl-[1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propan-2-yl]carbamic acid
CID 67459013
9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450756
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
tert-butyl N-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]-N-(2-methylpropyl)carbamate
CID 67448637
2-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]sulfonylamino]ethyl methanesulfonate
CID 86689549
[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate
CID 67449597
tert-butyl N-ethyl-N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67447992
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67449971
9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 123206643
9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 118194197
6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244953

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (CID 67449733) is [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCC(N(C)C(=O)O)CC2)cc1.
What is the InChIKey of [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is XIZYAMGGJHOOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-28(26(31)32)18-9-12-29(13-10-18)15-16-3-5-17(6-4-16)22-21(33-2)8-7-20-23(22)19-11-14-34-24(19)25(30)27-20/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 477.59 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67449733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).