[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate

C17H14Cl2N2O4 — CID 70380491

IUPAC[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O4/c1-8-15(25-17(23)24-2)12(9-4-3-5-10(18)14(9)19)13-11(21-8)6-7-20-16(13)22/h3-7,12,21H,1-2H3,(H,20,22)
InChIKeyVGKLEFANRLRQJH-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.25
Rot. Bonds2

About [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate

[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate (PubChem CID 70380491) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate
PubChem CID70380491
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O4/c1-8-15(25-17(23)24-2)12(9-4-3-5-10(18)14(9)19)13-11(21-8)6-7-20-16(13)22/h3-7,12,21H,1-2H3,(H,20,22)
InChIKeyVGKLEFANRLRQJH-UHFFFAOYSA-N
XLogP4.25
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate?
The IUPAC name of [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate (CID 70380491) is [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate.
What is the SMILES notation for [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate?
The canonical SMILES for [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate is COC(=O)OC1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc(Cl)c1Cl.
What is the InChIKey of [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate?
The InChIKey is VGKLEFANRLRQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-8-15(25-17(23)24-2)12(9-4-3-5-10(18)14(9)19)13-11(21-8)6-7-20-16(13)22/h3-7,12,21H,1-2H3,(H,20,22).
What are the key properties of [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate?
[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate has a molecular weight of 381.22 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate is sourced from PubChem (CID 70380491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).