methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate

C18H16N2O3 — CID 38020965

IUPACmethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12
InChIInChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyOKCAVCZFXJMUQX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds2

About methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate

methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate (PubChem CID 38020965) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
PubChem CID38020965
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12
InChIInChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyOKCAVCZFXJMUQX-UHFFFAOYSA-N
XLogP2.79
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate (CID 38020965) is methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12.
What is the InChIKey of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The InChIKey is OKCAVCZFXJMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 38020965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).