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

C20H19ClN4O3S — CID 10094246

IUPAC2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCNC(=O)CCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H19ClN4O3S/c1-22-17(26)6-7-25-15-5-3-2-4-11(15)8-14(20(25)28)23-18(27)13-9-12-10-16(21)29-19(12)24-13/h2-5,9-10,14,24H,6-8H2,1H3,(H,22,26)(H,23,27)
InChIKeyOWYSKDBZVGPFCE-UHFFFAOYSA-N
MW430.92 g/mol
LogP2.71
Rot. Bonds5

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

2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 10094246) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID10094246
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCNC(=O)CCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H19ClN4O3S/c1-22-17(26)6-7-25-15-5-3-2-4-11(15)8-14(20(25)28)23-18(27)13-9-12-10-16(21)29-19(12)24-13/h2-5,9-10,14,24H,6-8H2,1H3,(H,22,26)(H,23,27)
InChIKeyOWYSKDBZVGPFCE-UHFFFAOYSA-N
XLogP2.71
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-((1R,2S,5S)-2-(5-Chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 9808346
2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 15991547
N-((1R,2S)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752832
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-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10094429
3,4-dihydro-2-quinolone (DHQ) derivative, 27
CID 10096162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 10094246) is 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-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-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is CNC(=O)CCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is OWYSKDBZVGPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-22-17(26)6-7-25-15-5-3-2-4-11(15)8-14(20(25)28)23-18(27)13-9-12-10-16(21)29-19(12)24-13/h2-5,9-10,14,24H,6-8H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-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 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(methylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10094246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).