N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

C18H20N4O — CID 10236578

IUPACN'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2cc3ncccc3c(NCCCN)n2)c1
InChIInChI=1S/C18H20N4O/c1-23-14-6-2-5-13(11-14)16-12-17-15(7-3-9-20-17)18(22-16)21-10-4-8-19/h2-3,5-7,9,11-12H,4,8,10,19H2,1H3,(H,21,22)
InChIKeyWAWQOZCSROOCQK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.07
Rot. Bonds6

About N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10236578) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10236578
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2cc3ncccc3c(NCCCN)n2)c1
InChIInChI=1S/C18H20N4O/c1-23-14-6-2-5-13(11-14)16-12-17-15(7-3-9-20-17)18(22-16)21-10-4-8-19/h2-3,5-7,9,11-12H,4,8,10,19H2,1H3,(H,21,22)
InChIKeyWAWQOZCSROOCQK-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10236578) is N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is COc1cccc(-c2cc3ncccc3c(NCCCN)n2)c1.
What is the InChIKey of N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is WAWQOZCSROOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-14-6-2-5-13(11-14)16-12-17-15(7-3-9-20-17)18(22-16)21-10-4-8-19/h2-3,5-7,9,11-12H,4,8,10,19H2,1H3,(H,21,22).
What are the key properties of N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10236578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).