8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine

C14H16N2O2 — CID 83528569

IUPAC8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine
SMILESCOc1cc2ncc3c(c2cc1OC)CCNC3
InChIInChI=1S/C14H16N2O2/c1-17-13-5-11-10-3-4-15-7-9(10)8-16-12(11)6-14(13)18-2/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyVCFWHTFEOKMQPH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds2

About 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine

8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine (PubChem CID 83528569) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine
PubChem CID83528569
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine
SMILESCOc1cc2ncc3c(c2cc1OC)CCNC3
InChIInChI=1S/C14H16N2O2/c1-17-13-5-11-10-3-4-15-7-9(10)8-16-12(11)6-14(13)18-2/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyVCFWHTFEOKMQPH-UHFFFAOYSA-N
XLogP1.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine?
The IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine (CID 83528569) is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine.
What is the SMILES notation for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine?
The canonical SMILES for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine is COc1cc2ncc3c(c2cc1OC)CCNC3.
What is the InChIKey of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine?
The InChIKey is VCFWHTFEOKMQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-5-11-10-3-4-15-7-9(10)8-16-12(11)6-14(13)18-2/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine?
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine has a molecular weight of 244.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine is sourced from PubChem (CID 83528569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).