2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide

C23H23ClN4O4S — CID 10096946

IUPAC2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(=O)N2CCC(O)CC2)C1=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C23H23ClN4O4S/c24-19-11-14-10-16(26-22(14)33-19)21(31)25-17-9-13-3-1-2-4-18(13)28(23(17)32)12-20(30)27-7-5-15(29)6-8-27/h1-4,10-11,15,17,26,29H,5-9,12H2,(H,25,31)
InChIKeyHEXMHSAEGLWGCJ-UHFFFAOYSA-N
MW486.98 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide

2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 10096946) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID10096946
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(=O)N2CCC(O)CC2)C1=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C23H23ClN4O4S/c24-19-11-14-10-16(26-22(14)33-19)21(31)25-17-9-13-3-1-2-4-18(13)28(23(17)32)12-20(30)27-7-5-15(29)6-8-27/h1-4,10-11,15,17,26,29H,5-9,12H2,(H,25,31)
InChIKeyHEXMHSAEGLWGCJ-UHFFFAOYSA-N
XLogP2.55
TPSA105.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-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
3,4-dihydro-2-quinolone (DHQ) derivative, 27
CID 10096162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 10096946) is 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is O=C(NC1Cc2ccccc2N(CC(=O)N2CCC(O)CC2)C1=O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is HEXMHSAEGLWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c24-19-11-14-10-16(26-22(14)33-19)21(31)25-17-9-13-3-1-2-4-18(13)28(23(17)32)12-20(30)27-7-5-15(29)6-8-27/h1-4,10-11,15,17,26,29H,5-9,12H2,(H,25,31).
What are the key properties of 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10096946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).