ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate

C12H15ClN2O2 — CID 118902551

IUPACethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)CNC(C)C2
InChIInChI=1S/C12H15ClN2O2/c1-3-17-12(16)10-5-9(13)8-4-7(2)14-6-11(8)15-10/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPRAJBUJOFFNCRC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.95
Rot. Bonds2

About ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate

ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate (PubChem CID 118902551) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
PubChem CID118902551
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Nameethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)CNC(C)C2
InChIInChI=1S/C12H15ClN2O2/c1-3-17-12(16)10-5-9(13)8-4-7(2)14-6-11(8)15-10/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPRAJBUJOFFNCRC-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate (CID 118902551) is ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate is CCOC(=O)c1cc(Cl)c2c(n1)CNC(C)C2.
What is the InChIKey of ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?
The InChIKey is PRAJBUJOFFNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-17-12(16)10-5-9(13)8-4-7(2)14-6-11(8)15-10/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?
ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 118902551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).