methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate

C17H16Cl2N2O3 — CID 57249767

IUPACmethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2C=NCC(=O)C2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-8-13(17(23)24-2)14(9-4-3-5-10(18)16(9)19)15-11(21-8)6-20-7-12(15)22/h3-6,11,13-15H,7H2,1-2H3
InChIKeyGDUZQMAJZSQHAN-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.98
Rot. Bonds2

About methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate

methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate (PubChem CID 57249767) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate
PubChem CID57249767
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Namemethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2C=NCC(=O)C2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-8-13(17(23)24-2)14(9-4-3-5-10(18)16(9)19)15-11(21-8)6-20-7-12(15)22/h3-6,11,13-15H,7H2,1-2H3
InChIKeyGDUZQMAJZSQHAN-UHFFFAOYSA-N
XLogP2.98
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate (CID 57249767) is methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate is COC(=O)C1C(C)=NC2C=NCC(=O)C2C1c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate?
The InChIKey is GDUZQMAJZSQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-8-13(17(23)24-2)14(9-4-3-5-10(18)16(9)19)15-11(21-8)6-20-7-12(15)22/h3-6,11,13-15H,7H2,1-2H3.
What are the key properties of methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate?
methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate has a molecular weight of 367.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 57249767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).