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

C20H19Cl2N3O4S — CID 10096162

IUPAC2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C20H19Cl2N3O4S/c21-16-17-15(30-18(16)22)6-12(23-17)19(28)24-13-5-11-3-1-2-4-14(11)25(20(13)29)7-10(8-26)9-27/h1-4,6,10,13,23,26-27H,5,7-9H2,(H,24,28)
InChIKeyLQDLDRYJCVZYKX-UHFFFAOYSA-N
MW468.36 g/mol
LogP2.82
Rot. Bonds6

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

2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 10096162) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID10096162
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C20H19Cl2N3O4S/c21-16-17-15(30-18(16)22)6-12(23-17)19(28)24-13-5-11-3-1-2-4-14(11)25(20(13)29)7-10(8-26)9-27/h1-4,6,10,13,23,26-27H,5,7-9H2,(H,24,28)
InChIKeyLQDLDRYJCVZYKX-UHFFFAOYSA-N
XLogP2.82
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 15991547
3,4-dihydro-2-quinolone (DHQ) derivative, 9
CID 9980551
2-Chloro-N-[1-(methoxycarbonylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10002061
2-chloro-N-{1-[(hydroxycarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10002122
3,4-dihydro-2-quinolone (DHQ) derivative, 24
CID 10002440
3,4-dihydro-2-quinolone (DHQ) derivative, 8
CID 10024898
2-chloro-N-(1-{[(2-hydroxyethyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10026604
2-chloro-N-(1-[2-(methylthio)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide
CID 10047731
2-chloro-N-{1-[2-(methylcarbamoyl)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10094246
2-chloro-N-{1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10094429
2,3-Dichloro-n-{1-[(2r)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-4h-thieno[3,2-b]pyrrole-5-carboxamide
CID 10095464
2-Chloro-N-{1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10096946

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 10096162) is 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-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-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LQDLDRYJCVZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c21-16-17-15(30-18(16)22)6-12(23-17)19(28)24-13-5-11-3-1-2-4-14(11)25(20(13)29)7-10(8-26)9-27/h1-4,6,10,13,23,26-27H,5,7-9H2,(H,24,28).
What are the key properties of 2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 2.82, 6 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-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10096162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).