10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C13H14N2O2 — CID 58424905

IUPAC10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cccc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C13H14N2O2/c1-17-10-6-2-5-9-11(10)12-8(13(16)15-9)4-3-7-14-12/h2,5-6,14H,3-4,7H2,1H3,(H,15,16)
InChIKeyUWPMJIPMSAQFME-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.89
Rot. Bonds1

About 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424905) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424905
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cccc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C13H14N2O2/c1-17-10-6-2-5-9-11(10)12-8(13(16)15-9)4-3-7-14-12/h2,5-6,14H,3-4,7H2,1H3,(H,15,16)
InChIKeyUWPMJIPMSAQFME-UHFFFAOYSA-N
XLogP1.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424905) is 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COc1cccc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is UWPMJIPMSAQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-10-6-2-5-9-11(10)12-8(13(16)15-9)4-3-7-14-12/h2,5-6,14H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).