1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride

C14H19ClN6O — CID 68933255

IUPAC1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
SMILESCOCCc1nc2c(N)nc3cccnc3c2n1CCN.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-21-8-4-10-19-12-13(20(10)7-5-15)11-9(18-14(12)16)3-2-6-17-11;/h2-3,6H,4-5,7-8,15H2,1H3,(H2,16,18);1H
InChIKeyYNTKURNEMMDOKD-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.13
Rot. Bonds5

About 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride

1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride (PubChem CID 68933255) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
PubChem CID68933255
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
SMILESCOCCc1nc2c(N)nc3cccnc3c2n1CCN.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-21-8-4-10-19-12-13(20(10)7-5-15)11-9(18-14(12)16)3-2-6-17-11;/h2-3,6H,4-5,7-8,15H2,1H3,(H2,16,18);1H
InChIKeyYNTKURNEMMDOKD-UHFFFAOYSA-N
XLogP1.13
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride (CID 68933255) is 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride is COCCc1nc2c(N)nc3cccnc3c2n1CCN.Cl.
What is the InChIKey of 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride?
The InChIKey is YNTKURNEMMDOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c1-21-8-4-10-19-12-13(20(10)7-5-15)11-9(18-14(12)16)3-2-6-17-11;/h2-3,6H,4-5,7-8,15H2,1H3,(H2,16,18);1H.
What are the key properties of 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride?
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride is sourced from PubChem (CID 68933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).