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

C21H23N3O3S — CID 142801763

IUPACN-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCCC(O)CN1C(=O)C(NC(=O)c2cc3cc(C)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-3-15(25)11-24-18-7-5-4-6-13(18)9-17(21(24)27)22-19(26)16-10-14-8-12(2)28-20(14)23-16/h4-8,10,15,17,23,25H,3,9,11H2,1-2H3,(H,22,26)
InChIKeyWIIIAKDRSHELOX-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.00
Rot. Bonds5

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

N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 142801763) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID142801763
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCCC(O)CN1C(=O)C(NC(=O)c2cc3cc(C)sc3[nH]2)Cc2ccccc21
InChIInChI=1S/C21H23N3O3S/c1-3-15(25)11-24-18-7-5-4-6-13(18)9-17(21(24)27)22-19(26)16-10-14-8-12(2)28-20(14)23-16/h4-8,10,15,17,23,25H,3,9,11H2,1-2H3,(H,22,26)
InChIKeyWIIIAKDRSHELOX-UHFFFAOYSA-N
XLogP3.00
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(dimethylamino)-2-hydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 142801764
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
2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 143009843
2-chloro-N-[4-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-3-oxo-2,4-dihydro-1H-naphthalen-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58816548
N-[1-(2-amino-2-hydroxyiminoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 72994312
2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide;2,3-dihydroxy-N-methylpropanamide
CID 143006205
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 70129962
5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide
CID 143235852
2-[1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 161455999
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58717470
2-chloro-N-[(1R,2R)-1-[[(2S)-2-hydroxypropanoyl]-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58757480

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 142801763) is N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is CCC(O)CN1C(=O)C(NC(=O)c2cc3cc(C)sc3[nH]2)Cc2ccccc21.
What is the InChIKey of N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is WIIIAKDRSHELOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-15(25)11-24-18-7-5-4-6-13(18)9-17(21(24)27)22-19(26)16-10-14-8-12(2)28-20(14)23-16/h4-8,10,15,17,23,25H,3,9,11H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxybutyl)-2-oxo-3,4-dihydroquinolin-3-yl]-2-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 142801763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).