N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C20H16N2O3S — CID 15990972

IUPACN-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-13-8-6-12(7-9-13)11-21-20(24)17-10-15-18(26-17)14-4-2-3-5-16(14)22-19(15)23/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWSWXSJJJKIIAOA-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 15990972) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID15990972
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-13-8-6-12(7-9-13)11-21-20(24)17-10-15-18(26-17)14-4-2-3-5-16(14)22-19(15)23/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWSWXSJJJKIIAOA-UHFFFAOYSA-N
XLogP3.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 15990972) is N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is WSWXSJJJKIIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-13-8-6-12(7-9-13)11-21-20(24)17-10-15-18(26-17)14-4-2-3-5-16(14)22-19(15)23/h2-10H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 15990972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).