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

C18H16ClN5O3S — CID 58721826

IUPAC2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESNNC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C18H16ClN5O3S/c19-14-7-10-6-11(22-17(10)28-14)16(26)21-12-5-9-3-1-2-4-13(9)24(18(12)27)8-15(25)23-20/h1-4,6-7,12,22H,5,8,20H2,(H,21,26)(H,23,25)
InChIKeyQGYALIOLOKYDGL-UHFFFAOYSA-N
MW417.88 g/mol
LogP1.56
Rot. Bonds4

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

2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 58721826) has the molecular formula C18H16ClN5O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydrazinyl-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-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID58721826
Molecular FormulaC18H16ClN5O3S
Molecular Weight417.88 g/mol
Exact Mass417.07
IUPAC Name2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESNNC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C18H16ClN5O3S/c19-14-7-10-6-11(22-17(10)28-14)16(26)21-12-5-9-3-1-2-4-13(9)24(18(12)27)8-15(25)23-20/h1-4,6-7,12,22H,5,8,20H2,(H,21,26)(H,23,25)
InChIKeyQGYALIOLOKYDGL-UHFFFAOYSA-N
XLogP1.56
TPSA120.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydrazinyl-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-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 58721826) is 2-chloro-N-[1-(2-hydrazinyl-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-hydrazinyl-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-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is NNC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is QGYALIOLOKYDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3S/c19-14-7-10-6-11(22-17(10)28-14)16(26)21-12-5-9-3-1-2-4-13(9)24(18(12)27)8-15(25)23-20/h1-4,6-7,12,22H,5,8,20H2,(H,21,26)(H,23,25).
What are the key properties of 2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 417.88 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydrazinyl-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 58721826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).