methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate

C19H19NO4 — CID 22122789

IUPACmethyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)=C(C)C(C)(C)O2
InChIInChI=1S/C19H19NO4/c1-12-17(20-10-6-5-7-16(20)21)14-11-13(18(22)23-4)8-9-15(14)24-19(12,2)3/h5-11H,1-4H3
InChIKeyHXHCNKPUUGJCKL-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.09
Rot. Bonds2

About methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate

methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate (PubChem CID 22122789) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
PubChem CID22122789
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)=C(C)C(C)(C)O2
InChIInChI=1S/C19H19NO4/c1-12-17(20-10-6-5-7-16(20)21)14-11-13(18(22)23-4)8-9-15(14)24-19(12,2)3/h5-11H,1-4H3
InChIKeyHXHCNKPUUGJCKL-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate?
The IUPAC name of methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate (CID 22122789) is methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate.
What is the SMILES notation for methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate?
The canonical SMILES for methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(n1ccccc1=O)=C(C)C(C)(C)O2.
What is the InChIKey of methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate?
The InChIKey is HXHCNKPUUGJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-17(20-10-6-5-7-16(20)21)14-11-13(18(22)23-4)8-9-15(14)24-19(12,2)3/h5-11H,1-4H3.
What are the key properties of methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate?
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate is sourced from PubChem (CID 22122789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).