1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea

C18H18N4O2 — CID 53239373

IUPAC1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
InChIKeyYGLAORIVGOGYSS-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.45
Rot. Bonds4

About 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea

1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea (PubChem CID 53239373) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea
PubChem CID53239373
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
InChIKeyYGLAORIVGOGYSS-UHFFFAOYSA-N
XLogP3.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea (CID 53239373) is 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is YGLAORIVGOGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea?
1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-(4-methoxyphenyl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 53239373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).