7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine

C19H18N2O3 — CID 66713271

IUPAC7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine
SMILESC=CCOc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12
InChIInChI=1S/C19H18N2O3/c1-4-10-24-19-14-6-5-9-20-16(14)12-15(21-19)13-7-8-17(22-2)18(11-13)23-3/h4-9,11-12H,1,10H2,2-3H3
InChIKeyKBQNTPLWWWYYOV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.88
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine

7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine (PubChem CID 66713271) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine
PubChem CID66713271
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine
SMILESC=CCOc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12
InChIInChI=1S/C19H18N2O3/c1-4-10-24-19-14-6-5-9-20-16(14)12-15(21-19)13-7-8-17(22-2)18(11-13)23-3/h4-9,11-12H,1,10H2,2-3H3
InChIKeyKBQNTPLWWWYYOV-UHFFFAOYSA-N
XLogP3.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine (CID 66713271) is 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine is C=CCOc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine?
The InChIKey is KBQNTPLWWWYYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-4-10-24-19-14-6-5-9-20-16(14)12-15(21-19)13-7-8-17(22-2)18(11-13)23-3/h4-9,11-12H,1,10H2,2-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine?
7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine has a molecular weight of 322.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1,6-naphthyridine is sourced from PubChem (CID 66713271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).