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

C19H17Cl2N3O4S — CID 10095464

IUPAC2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C19H17Cl2N3O4S/c20-15-16-14(29-17(15)21)6-11(22-16)18(27)23-12-5-9-3-1-2-4-13(9)24(19(12)28)7-10(26)8-25/h1-4,6,10,12,22,25-26H,5,7-8H2,(H,23,27)/t10-,12?/m1/s1
InChIKeyOZBWIUILLXYRCQ-RWANSRKNSA-N
MW454.34 g/mol
LogP2.58
Rot. Bonds5

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

2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 10095464) has the molecular formula C19H17Cl2N3O4S and a molecular weight of 454.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID10095464
Molecular FormulaC19H17Cl2N3O4S
Molecular Weight454.34 g/mol
Exact Mass453.03
IUPAC Name2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C19H17Cl2N3O4S/c20-15-16-14(29-17(15)21)6-11(22-16)18(27)23-12-5-9-3-1-2-4-13(9)24(19(12)28)7-10(26)8-25/h1-4,6,10,12,22,25-26H,5,7-8H2,(H,23,27)/t10-,12?/m1/s1
InChIKeyOZBWIUILLXYRCQ-RWANSRKNSA-N
XLogP2.58
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 10095464) is 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-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-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OZBWIUILLXYRCQ-RWANSRKNSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4S/c20-15-16-14(29-17(15)21)6-11(22-16)18(27)23-12-5-9-3-1-2-4-13(9)24(19(12)28)7-10(26)8-25/h1-4,6,10,12,22,25-26H,5,7-8H2,(H,23,27)/t10-,12?/m1/s1.
What are the key properties of 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 454.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10095464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).