4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine

C9H8N4 — CID 67966762

IUPAC4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine
SMILESc1cnc2c(c1)-c1nc[nH]c1CN2
InChIInChI=1S/C9H8N4/c1-2-6-8-7(12-5-13-8)4-11-9(6)10-3-1/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChIKeyQTQOUAWACIJGAZ-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.40
Rot. Bonds

About 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine

4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine (PubChem CID 67966762) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine.

Molecular Properties

Compound Name4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine
PubChem CID67966762
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine
SMILESc1cnc2c(c1)-c1nc[nH]c1CN2
InChIInChI=1S/C9H8N4/c1-2-6-8-7(12-5-13-8)4-11-9(6)10-3-1/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChIKeyQTQOUAWACIJGAZ-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine?
The IUPAC name of 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine (CID 67966762) is 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine.
What is the SMILES notation for 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine?
The canonical SMILES for 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine is c1cnc2c(c1)-c1nc[nH]c1CN2.
What is the InChIKey of 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine?
The InChIKey is QTQOUAWACIJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-6-8-7(12-5-13-8)4-11-9(6)10-3-1/h1-3,5H,4H2,(H,10,11)(H,12,13).
What are the key properties of 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine?
4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine has a molecular weight of 172.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine is sourced from PubChem (CID 67966762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).