3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one

C12H12N2O — CID 87803600

IUPAC3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=C1NCCC2NC=c3ccccc3=C12
InChIInChI=1S/C12H12N2O/c15-12-11-9-4-2-1-3-8(9)7-14-10(11)5-6-13-12/h1-4,7,10,14H,5-6H2,(H,13,15)
InChIKeyFRCNZAUNTHTPQI-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.93
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one

3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 87803600) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID87803600
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=C1NCCC2NC=c3ccccc3=C12
InChIInChI=1S/C12H12N2O/c15-12-11-9-4-2-1-3-8(9)7-14-10(11)5-6-13-12/h1-4,7,10,14H,5-6H2,(H,13,15)
InChIKeyFRCNZAUNTHTPQI-UHFFFAOYSA-N
XLogP-0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one (CID 87803600) is 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one is O=C1NCCC2NC=c3ccccc3=C12.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is FRCNZAUNTHTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-11-9-4-2-1-3-8(9)7-14-10(11)5-6-13-12/h1-4,7,10,14H,5-6H2,(H,13,15).
What are the key properties of 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one?
3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 200.24 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 87803600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).