3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione

C13H18N2O2 — CID 18726922

IUPAC3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione
SMILESCc1cc2c(c(=O)n1C(C)C)NC(=O)C(C)C2
InChIInChI=1S/C13H18N2O2/c1-7(2)15-9(4)6-10-5-8(3)12(16)14-11(10)13(15)17/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyFCEDJRDRQMOHFX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds1

About 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione

3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione (PubChem CID 18726922) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione.

Molecular Properties

Compound Name3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione
PubChem CID18726922
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione
SMILESCc1cc2c(c(=O)n1C(C)C)NC(=O)C(C)C2
InChIInChI=1S/C13H18N2O2/c1-7(2)15-9(4)6-10-5-8(3)12(16)14-11(10)13(15)17/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyFCEDJRDRQMOHFX-UHFFFAOYSA-N
XLogP1.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione?
The IUPAC name of 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione (CID 18726922) is 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione.
What is the SMILES notation for 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione?
The canonical SMILES for 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione is Cc1cc2c(c(=O)n1C(C)C)NC(=O)C(C)C2.
What is the InChIKey of 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione?
The InChIKey is FCEDJRDRQMOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7(2)15-9(4)6-10-5-8(3)12(16)14-11(10)13(15)17/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione?
3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione has a molecular weight of 234.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione is sourced from PubChem (CID 18726922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).