N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2O3S — CID 156601359

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-3-29-21-11-10-16(13-22(21)28-2)15-25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyVAEYLECJSMPLKE-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.30
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 156601359) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID156601359
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-3-29-21-11-10-16(13-22(21)28-2)15-25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyVAEYLECJSMPLKE-UHFFFAOYSA-N
XLogP5.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1223033
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
CID 1014141
N-[(2-methyl-4-quinolinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 1504333
N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-2-carboxamide
CID 9474033
4-[(E)-2-({3-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-thiophen-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide
CID 10769485
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
CID 46916320
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-5-thieno[3,2-b]pyrrolecarboxamide
CID 46947845
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70789746
2-(3,4-Dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)quinoline
CID 1219284
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2365279

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 156601359) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide is CCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is VAEYLECJSMPLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-3-29-21-11-10-16(13-22(21)28-2)15-25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 156601359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).