N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide

C20H23N3OS — CID 20966357

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1
InChIInChI=1S/C20H23N3OS/c1-3-23-8-4-5-16(23)12-21-19(24)18-11-15-10-14-9-13(2)6-7-17(14)22-20(15)25-18/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,24)
InChIKeyLJGLAYDWFFLJBL-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.97
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966357) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966357
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1
InChIInChI=1S/C20H23N3OS/c1-3-23-8-4-5-16(23)12-21-19(24)18-11-15-10-14-9-13(2)6-7-17(14)22-20(15)25-18/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,24)
InChIKeyLJGLAYDWFFLJBL-UHFFFAOYSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857389
N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966408
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 11791829
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 20966357) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide is CCN1CCCC1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is LJGLAYDWFFLJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-23-8-4-5-16(23)12-21-19(24)18-11-15-10-14-9-13(2)6-7-17(14)22-20(15)25-18/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).