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

C17H20N2O3 — CID 66498695

IUPACmethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyIRDXHXACHVRBEU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.92
Rot. Bonds2

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

methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 66498695) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID66498695
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyIRDXHXACHVRBEU-UHFFFAOYSA-N
XLogP2.92
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (CID 66498695) is methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(C3CCCC3)ccc12.
What is the InChIKey of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is IRDXHXACHVRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-14-13(15(11(2)18-10)17(21)22-3)8-9-19(16(14)20)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66498695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).