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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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Columbamine
CID 72310
Coralyne chloride
CID 23306
Palmatine Chloride
CID 73442
Jatrorrhizine
CID 72323
Octaverine
CID 68363
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
Jatrorrhizine Chloride
CID 371256

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).