N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide

C20H16N2O2S — CID 17473218

IUPACN-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16N2O2S/c1-22(13-14-6-4-10-24-14)20(23)16-12-18(19-9-5-11-25-19)21-17-8-3-2-7-15(16)17/h2-12H,13H2,1H3
InChIKeyUECMVERESGXSRJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.83
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide

N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 17473218) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID17473218
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16N2O2S/c1-22(13-14-6-4-10-24-14)20(23)16-12-18(19-9-5-11-25-19)21-17-8-3-2-7-15(16)17/h2-12H,13H2,1H3
InChIKeyUECMVERESGXSRJ-UHFFFAOYSA-N
XLogP4.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 17473218) is N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is CN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is UECMVERESGXSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-22(13-14-6-4-10-24-14)20(23)16-12-18(19-9-5-11-25-19)21-17-8-3-2-7-15(16)17/h2-12H,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 17473218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).