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

C20H18ClN3O3S — CID 10024898

IUPAC2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCCC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H18ClN3O3S/c1-2-13(25)10-24-16-6-4-3-5-11(16)7-15(20(24)27)22-18(26)14-8-12-9-17(21)28-19(12)23-14/h3-6,8-9,15,23H,2,7,10H2,1H3,(H,22,26)
InChIKeyPVPNBNMOQZTHJL-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.55
Rot. Bonds5

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

2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 10024898) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID10024898
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCCC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C20H18ClN3O3S/c1-2-13(25)10-24-16-6-4-3-5-11(16)7-15(20(24)27)22-18(26)14-8-12-9-17(21)28-19(12)23-14/h3-6,8-9,15,23H,2,7,10H2,1H3,(H,22,26)
InChIKeyPVPNBNMOQZTHJL-UHFFFAOYSA-N
XLogP3.55
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 10024898) is 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is CCC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21.
What is the InChIKey of 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is PVPNBNMOQZTHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-2-13(25)10-24-16-6-4-3-5-11(16)7-15(20(24)27)22-18(26)14-8-12-9-17(21)28-19(12)23-14/h3-6,8-9,15,23H,2,7,10H2,1H3,(H,22,26).
What are the key properties of 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-1-(2-oxobutyl)-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10024898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).