N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C21H18N2O3S — CID 666219

IUPACN-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C21H18N2O3S/c1-14-5-2-6-15-11-16(20(24)22-19(14)15)12-23(13-17-7-3-9-26-17)21(25)18-8-4-10-27-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyYRBQBGKDZJVSBA-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 666219) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID666219
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C21H18N2O3S/c1-14-5-2-6-15-11-16(20(24)22-19(14)15)12-23(13-17-7-3-9-26-17)21(25)18-8-4-10-27-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyYRBQBGKDZJVSBA-UHFFFAOYSA-N
XLogP4.33
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 666219) is N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YRBQBGKDZJVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-14-5-2-6-15-11-16(20(24)22-19(14)15)12-23(13-17-7-3-9-26-17)21(25)18-8-4-10-27-18/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 666219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).