8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one

C14H18N2O3 — CID 84638814

IUPAC8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one
SMILESCOc1cc2c(c(OC)c1)C1CNCCC1C(=O)N2
InChIInChI=1S/C14H18N2O3/c1-18-8-5-11-13(12(6-8)19-2)10-7-15-4-3-9(10)14(17)16-11/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyCBEMSRCZKPHRAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.35
Rot. Bonds2

About 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one

8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one (PubChem CID 84638814) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one.

Molecular Properties

Compound Name8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one
PubChem CID84638814
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one
SMILESCOc1cc2c(c(OC)c1)C1CNCCC1C(=O)N2
InChIInChI=1S/C14H18N2O3/c1-18-8-5-11-13(12(6-8)19-2)10-7-15-4-3-9(10)14(17)16-11/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyCBEMSRCZKPHRAJ-UHFFFAOYSA-N
XLogP1.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one with MolForge

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Related Compounds

(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(3aS,10bR)-8,10-dimethoxy-2,3,3a,4,5,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-6-one
CID 54673510
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120875651
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
9-bromo-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84642766
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one?
The IUPAC name of 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one (CID 84638814) is 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one.
What is the SMILES notation for 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one?
The canonical SMILES for 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one is COc1cc2c(c(OC)c1)C1CNCCC1C(=O)N2.
What is the InChIKey of 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one?
The InChIKey is CBEMSRCZKPHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-8-5-11-13(12(6-8)19-2)10-7-15-4-3-9(10)14(17)16-11/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one?
8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one has a molecular weight of 262.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-5-one is sourced from PubChem (CID 84638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).