2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C18H15Cl2N3O3S — CID 10002440

IUPAC2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H15Cl2N3O3S/c19-14-15-13(27-16(14)20)8-10(21-15)17(25)22-11-7-9-3-1-2-4-12(9)23(5-6-24)18(11)26/h1-4,8,11,21,24H,5-7H2,(H,22,25)
InChIKeyPUWKWOCINPVHOI-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.22
Rot. Bonds4

About 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 10002440) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID10002440
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H15Cl2N3O3S/c19-14-15-13(27-16(14)20)8-10(21-15)17(25)22-11-7-9-3-1-2-4-12(9)23(5-6-24)18(11)26/h1-4,8,11,21,24H,5-7H2,(H,22,25)
InChIKeyPUWKWOCINPVHOI-UHFFFAOYSA-N
XLogP3.22
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 10002440) is 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PUWKWOCINPVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c19-14-15-13(27-16(14)20)8-10(21-15)17(25)22-11-7-9-3-1-2-4-12(9)23(5-6-24)18(11)26/h1-4,8,11,21,24H,5-7H2,(H,22,25).
What are the key properties of 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 424.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10002440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).