3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine

C16H14N4O — CID 12868816

IUPAC3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine
SMILESCCOc1ccc2c(n1)NCc1cc3cccnc3nc1-2
InChIInChI=1S/C16H14N4O/c1-2-21-13-6-5-12-14-11(9-18-16(12)19-13)8-10-4-3-7-17-15(10)20-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyPJIKWTBDYHYJEF-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.02
Rot. Bonds2

About 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine

3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine (PubChem CID 12868816) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine
PubChem CID12868816
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine
SMILESCCOc1ccc2c(n1)NCc1cc3cccnc3nc1-2
InChIInChI=1S/C16H14N4O/c1-2-21-13-6-5-12-14-11(9-18-16(12)19-13)8-10-4-3-7-17-15(10)20-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyPJIKWTBDYHYJEF-UHFFFAOYSA-N
XLogP3.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 23646046
CID 23646046
CID 124220260
CID 124220260
CID 11495114
CID 11495114
CID 2817025
CID 2817025
CID 10149633
CID 10149633
CID 11220495
CID 11220495
CID 11507270
CID 11507270
CID 14570319
CID 14570319
CID 16736981
CID 16736981
CID 44280099
CID 44280099
CID 44449000
CID 44449000
CID 49785436
CID 49785436

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine?
The IUPAC name of 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine (CID 12868816) is 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine?
The canonical SMILES for 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine is CCOc1ccc2c(n1)NCc1cc3cccnc3nc1-2.
What is the InChIKey of 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine?
The InChIKey is PJIKWTBDYHYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-21-13-6-5-12-14-11(9-18-16(12)19-13)8-10-4-3-7-17-15(10)20-14/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine?
3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine has a molecular weight of 278.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,6-dihydro-1,8-naphthyridino[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 12868816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).