2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C19H14N4O3S — CID 121026290

IUPAC2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1c[nH]c(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C19H14N4O3S/c24-17(22-13-5-6-16-12(9-13)3-1-7-20-16)15-10-21-19(26)23(18(15)25)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,26)(H,22,24)
InChIKeyVSYWWGQVMQNKGC-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.45
Rot. Bonds4

About 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121026290) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121026290
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1c[nH]c(=O)n(Cc2cccs2)c1=O
InChIInChI=1S/C19H14N4O3S/c24-17(22-13-5-6-16-12(9-13)3-1-7-20-16)15-10-21-19(26)23(18(15)25)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,26)(H,22,24)
InChIKeyVSYWWGQVMQNKGC-UHFFFAOYSA-N
XLogP2.45
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026219
N-(4-ethylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026084
2,4-dioxo-3-(thiophen-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026082
N-(3-nitrophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026039
N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026277
2,4-dioxo-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026253
N-(3-methyl-1,2-oxazol-5-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 71778401
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026177
N-(2,6-dichlorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026295
N-(2-fluorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026025
N-(2-cyanophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026131
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
CID 121026784

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121026290) is 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc2ncccc2c1)c1c[nH]c(=O)n(Cc2cccs2)c1=O.
What is the InChIKey of 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is VSYWWGQVMQNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c24-17(22-13-5-6-16-12(9-13)3-1-7-20-16)15-10-21-19(26)23(18(15)25)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,26)(H,22,24).
What are the key properties of 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).