9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C18H20N2O2S — CID 67448665

IUPAC9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)C/C=C/c1c(O)ccc2[nH]c(=O)c3sccc3c12
InChIInChI=1S/C18H20N2O2S/c1-3-20(4-2)10-5-6-12-15(21)8-7-14-16(12)13-9-11-23-17(13)18(22)19-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22)/b6-5+
InChIKeyPOVTWHXDYGAICZ-AATRIKPKSA-N
MW328.44 g/mol
LogP3.80
Rot. Bonds5

About 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448665) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448665
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)C/C=C/c1c(O)ccc2[nH]c(=O)c3sccc3c12
InChIInChI=1S/C18H20N2O2S/c1-3-20(4-2)10-5-6-12-15(21)8-7-14-16(12)13-9-11-23-17(13)18(22)19-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22)/b6-5+
InChIKeyPOVTWHXDYGAICZ-AATRIKPKSA-N
XLogP3.80
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2-(diethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449420
N-(2-bromoethyl)-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67450781
N-ethyl-N-[2-[4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenoxy]ethyl]methanesulfonamide
CID 122549683
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzonitrile
CID 67449491
9-[4-[(2S)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450831
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67447501
7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472349
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
8-hydroxy-9-[4-[(propan-2-ylideneamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 123968671
3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
CID 67449423
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67448665) is 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CCN(CC)C/C=C/c1c(O)ccc2[nH]c(=O)c3sccc3c12.
What is the InChIKey of 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is POVTWHXDYGAICZ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20(4-2)10-5-6-12-15(21)8-7-14-16(12)13-9-11-23-17(13)18(22)19-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22)/b6-5+.
What are the key properties of 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 328.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3-(diethylamino)prop-1-enyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).