3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate

C21H23N3O4S — CID 67449423

IUPAC3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1C=CCOC(=O)NC1CCNCC1
InChIInChI=1S/C21H23N3O4S/c1-27-17-5-4-16-18(15-8-12-29-19(15)20(25)24-16)14(17)3-2-11-28-21(26)23-13-6-9-22-10-7-13/h2-5,8,12-13,22H,6-7,9-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyYHNQCGIBNDWFFF-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.24
Rot. Bonds5

About 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate

3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate (PubChem CID 67449423) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
PubChem CID67449423
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1C=CCOC(=O)NC1CCNCC1
InChIInChI=1S/C21H23N3O4S/c1-27-17-5-4-16-18(15-8-12-29-19(15)20(25)24-16)14(17)3-2-11-28-21(26)23-13-6-9-22-10-7-13/h2-5,8,12-13,22H,6-7,9-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyYHNQCGIBNDWFFF-UHFFFAOYSA-N
XLogP3.24
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate with MolForge

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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-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 160583228
9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448665
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67449971
[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
CID 67449733
N-(3,3-dimethylbutyl)-4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzenesulfonamide
CID 67450016
1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
CID 67450131
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-[1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propan-2-yl]carbamic acid
CID 67459013
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate?
The IUPAC name of 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate (CID 67449423) is 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate?
The canonical SMILES for 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate is COc1ccc2[nH]c(=O)c3sccc3c2c1C=CCOC(=O)NC1CCNCC1.
What is the InChIKey of 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate?
The InChIKey is YHNQCGIBNDWFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-27-17-5-4-16-18(15-8-12-29-19(15)20(25)24-16)14(17)3-2-11-28-21(26)23-13-6-9-22-10-7-13/h2-5,8,12-13,22H,6-7,9-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate?
3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate has a molecular weight of 413.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 67449423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).