N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H18N2O3S — CID 33032916

IUPACN-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H18N2O3S/c1-2-19(10-11-5-4-8-23-11)17(22)13-9-12-14(18-16(13)21)6-3-7-15(12)20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyBLPRIDXRDLVKHI-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.62
Rot. Bonds4

About N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33032916) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33032916
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H18N2O3S/c1-2-19(10-11-5-4-8-23-11)17(22)13-9-12-14(18-16(13)21)6-3-7-15(12)20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyBLPRIDXRDLVKHI-UHFFFAOYSA-N
XLogP2.62
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-1-oxo-N-(thiophen-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 33032493
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60655606
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33032916) is N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCN(Cc1cccs1)C(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is BLPRIDXRDLVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-19(10-11-5-4-8-23-11)17(22)13-9-12-14(18-16(13)21)6-3-7-15(12)20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21).
What are the key properties of N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33032916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).