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

C20H19ClN4O3S — CID 10410468

IUPAC2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCN(C)C(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H19ClN4O3S/c1-24(2)17(26)10-25-15-6-4-3-5-11(15)7-14(20(25)28)22-18(27)13-8-12-9-16(21)29-19(12)23-13/h3-6,8-9,14,23H,7,10H2,1-2H3,(H,22,27)
InChIKeyBDFSITGJCZCMTL-UHFFFAOYSA-N
MW430.92 g/mol
LogP2.66
Rot. Bonds4

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

2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 10410468) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID10410468
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCN(C)C(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H19ClN4O3S/c1-24(2)17(26)10-25-15-6-4-3-5-11(15)7-14(20(25)28)22-18(27)13-8-12-9-16(21)29-19(12)23-13/h3-6,8-9,14,23H,7,10H2,1-2H3,(H,22,27)
InChIKeyBDFSITGJCZCMTL-UHFFFAOYSA-N
XLogP2.66
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-[2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 10410468) is 2-chloro-N-[1-[2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is CN(C)C(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is BDFSITGJCZCMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24(2)17(26)10-25-15-6-4-3-5-11(15)7-14(20(25)28)22-18(27)13-8-12-9-16(21)29-19(12)23-13/h3-6,8-9,14,23H,7,10H2,1-2H3,(H,22,27).
What are the key properties of 2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10410468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).