7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid

C14H18N2O4 — CID 124704312

IUPAC7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C(=O)O)nc2C1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-7-6-9-4-5-10(12(17)18)15-11(9)8-16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyKGSRSDIQBKJSPS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.07
Rot. Bonds1

About 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid

7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid (PubChem CID 124704312) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
PubChem CID124704312
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C(=O)O)nc2C1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-7-6-9-4-5-10(12(17)18)15-11(9)8-16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyKGSRSDIQBKJSPS-UHFFFAOYSA-N
XLogP2.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid (CID 124704312) is 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCc2ccc(C(=O)O)nc2C1.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?
The InChIKey is KGSRSDIQBKJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-7-6-9-4-5-10(12(17)18)15-11(9)8-16/h4-5H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 124704312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).