(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine

C17H21N5O — CID 87867627

IUPAC(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
SMILESCCCc1nc2cnc3cccnc3c2n1CCC/C=N/OC
InChIInChI=1S/C17H21N5O/c1-3-7-15-21-14-12-19-13-8-6-9-18-16(13)17(14)22(15)11-5-4-10-20-23-2/h6,8-10,12H,3-5,7,11H2,1-2H3/b20-10+
InChIKeyFGVAVSPHMIDDFR-KEBDBYFISA-N
MW311.39 g/mol
LogP3.34
Rot. Bonds7

About (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine

(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine (PubChem CID 87867627) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
PubChem CID87867627
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
SMILESCCCc1nc2cnc3cccnc3c2n1CCC/C=N/OC
InChIInChI=1S/C17H21N5O/c1-3-7-15-21-14-12-19-13-8-6-9-18-16(13)17(14)22(15)11-5-4-10-20-23-2/h6,8-10,12H,3-5,7,11H2,1-2H3/b20-10+
InChIKeyFGVAVSPHMIDDFR-KEBDBYFISA-N
XLogP3.34
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine?
The IUPAC name of (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine (CID 87867627) is (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine.
What is the SMILES notation for (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine?
The canonical SMILES for (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine is CCCc1nc2cnc3cccnc3c2n1CCC/C=N/OC.
What is the InChIKey of (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine?
The InChIKey is FGVAVSPHMIDDFR-KEBDBYFISA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-7-15-21-14-12-19-13-8-6-9-18-16(13)17(14)22(15)11-5-4-10-20-23-2/h6,8-10,12H,3-5,7,11H2,1-2H3/b20-10+.
What are the key properties of (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine?
(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine has a molecular weight of 311.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine is sourced from PubChem (CID 87867627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).