4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

C21H20N2O4 — CID 170510231

IUPAC4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1ccc2c(NC(=O)c3c(C)cc(C4CCOC4)oc3=O)cccc2n1
InChIInChI=1S/C21H20N2O4/c1-12-10-18(14-8-9-26-11-14)27-21(25)19(12)20(24)23-17-5-3-4-16-15(17)7-6-13(2)22-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,23,24)
InChIKeyVATROVFOIIWKSM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.56
Rot. Bonds3

About 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (PubChem CID 170510231) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
PubChem CID170510231
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1ccc2c(NC(=O)c3c(C)cc(C4CCOC4)oc3=O)cccc2n1
InChIInChI=1S/C21H20N2O4/c1-12-10-18(14-8-9-26-11-14)27-21(25)19(12)20(24)23-17-5-3-4-16-15(17)7-6-13(2)22-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,23,24)
InChIKeyVATROVFOIIWKSM-UHFFFAOYSA-N
XLogP3.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170511216
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
4-methyl-2-oxo-6-(oxolan-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyran-3-carboxamide
CID 170504390
4-methyl-2-oxo-6-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyran-3-carboxamide
CID 170510419
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-methylquinolin-5-yl)urea
CID 125163671
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
1-(1,4-dioxan-2-ylmethyl)-3-(2-methylquinolin-5-yl)urea
CID 118763416
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (CID 170510231) is 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is Cc1ccc2c(NC(=O)c3c(C)cc(C4CCOC4)oc3=O)cccc2n1.
What is the InChIKey of 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The InChIKey is VATROVFOIIWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-12-10-18(14-8-9-26-11-14)27-21(25)19(12)20(24)23-17-5-3-4-16-15(17)7-6-13(2)22-16/h3-7,10,14H,8-9,11H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is sourced from PubChem (CID 170510231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).