ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate

C13H13ClN2O3 — CID 12818608

IUPACethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C13H13ClN2O3/c1-4-19-13(18)9-10(14)8-6-5-7(2)15-11(8)16(3)12(9)17/h5-6H,4H2,1-3H3
InChIKeyPLAKXIKBDVDBBF-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.07
Rot. Bonds2

About ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818608) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818608
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Nameethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C13H13ClN2O3/c1-4-19-13(18)9-10(14)8-6-5-7(2)15-11(8)16(3)12(9)17/h5-6H,4H2,1-3H3
InChIKeyPLAKXIKBDVDBBF-UHFFFAOYSA-N
XLogP2.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818608) is ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(Cl)c2ccc(C)nc2n(C)c1=O.
What is the InChIKey of ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is PLAKXIKBDVDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-4-19-13(18)9-10(14)8-6-5-7(2)15-11(8)16(3)12(9)17/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 280.71 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).