1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea

C19H20N4O3 — CID 53239589

IUPAC1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccnc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C19H20N4O3/c1-4-20-19(24)23-14-7-8-21-15-9-13(11-22-18(14)15)12-5-6-16(25-2)17(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,23,24)
InChIKeyXVYCWTBCNHCOBJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.46
Rot. Bonds5

About 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea

1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea (PubChem CID 53239589) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea
PubChem CID53239589
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccnc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C19H20N4O3/c1-4-20-19(24)23-14-7-8-21-15-9-13(11-22-18(14)15)12-5-6-16(25-2)17(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,23,24)
InChIKeyXVYCWTBCNHCOBJ-UHFFFAOYSA-N
XLogP3.46
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea?
The IUPAC name of 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea (CID 53239589) is 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea?
The canonical SMILES for 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea is CCNC(=O)Nc1ccnc2cc(-c3ccc(OC)c(OC)c3)cnc12.
What is the InChIKey of 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea?
The InChIKey is XVYCWTBCNHCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-20-19(24)23-14-7-8-21-15-9-13(11-22-18(14)15)12-5-6-16(25-2)17(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea?
1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea has a molecular weight of 352.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-4-yl]-3-ethylurea is sourced from PubChem (CID 53239589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).