N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

C22H20N2O2S — CID 15997237

IUPACN-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cc3ccc(OC)cc3nc2s1
InChIInChI=1S/C22H20N2O2S/c1-3-24(14-15-7-5-4-6-8-15)22(25)20-12-17-11-16-9-10-18(26-2)13-19(16)23-21(17)27-20/h4-13H,3,14H2,1-2H3
InChIKeyFCOWDARRPQKKFM-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.12
Rot. Bonds5

About N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15997237) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID15997237
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cc3ccc(OC)cc3nc2s1
InChIInChI=1S/C22H20N2O2S/c1-3-24(14-15-7-5-4-6-8-15)22(25)20-12-17-11-16-9-10-18(26-2)13-19(16)23-21(17)27-20/h4-13H,3,14H2,1-2H3
InChIKeyFCOWDARRPQKKFM-UHFFFAOYSA-N
XLogP5.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 131841617
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
7-methoxy-N-(2,4,6-trimethylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 2093613
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 15997237) is N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc2cc3ccc(OC)cc3nc2s1.
What is the InChIKey of N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is FCOWDARRPQKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-3-24(14-15-7-5-4-6-8-15)22(25)20-12-17-11-16-9-10-18(26-2)13-19(16)23-21(17)27-20/h4-13H,3,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15997237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).