2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide

C17H14N2O3 — CID 110699363

IUPAC2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O3/c1-10-9-14(20)22-11(2)15(10)17(21)19-13-7-3-5-12-6-4-8-18-16(12)13/h3-9H,1-2H3,(H,19,21)
InChIKeySSVSFLTUPYLGRJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.06
Rot. Bonds2

About 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide

2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide (PubChem CID 110699363) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
PubChem CID110699363
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O3/c1-10-9-14(20)22-11(2)15(10)17(21)19-13-7-3-5-12-6-4-8-18-16(12)13/h3-9H,1-2H3,(H,19,21)
InChIKeySSVSFLTUPYLGRJ-UHFFFAOYSA-N
XLogP3.06
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
N-(9,10-dioxoanthracen-1-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3276435
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
CID 175917421
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide (CID 110699363) is 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide?
The InChIKey is SSVSFLTUPYLGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-9-14(20)22-11(2)15(10)17(21)19-13-7-3-5-12-6-4-8-18-16(12)13/h3-9H,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide is sourced from PubChem (CID 110699363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).