1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea

C17H18N4O3 — CID 23607770

IUPAC1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea
SMILESCCn1cc(NC(=O)NCc2ccco2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H18N4O3/c1-3-21-10-14(15(22)13-7-6-11(2)19-16(13)21)20-17(23)18-9-12-5-4-8-24-12/h4-8,10H,3,9H2,1-2H3,(H2,18,20,23)
InChIKeyZYEGQBBSTYRKNE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.64
Rot. Bonds4

About 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea

1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea (PubChem CID 23607770) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea
PubChem CID23607770
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea
SMILESCCn1cc(NC(=O)NCc2ccco2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H18N4O3/c1-3-21-10-14(15(22)13-7-6-11(2)19-16(13)21)20-17(23)18-9-12-5-4-8-24-12/h4-8,10H,3,9H2,1-2H3,(H2,18,20,23)
InChIKeyZYEGQBBSTYRKNE-UHFFFAOYSA-N
XLogP2.64
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea (CID 23607770) is 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea is CCn1cc(NC(=O)NCc2ccco2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea?
The InChIKey is ZYEGQBBSTYRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-21-10-14(15(22)13-7-6-11(2)19-16(13)21)20-17(23)18-9-12-5-4-8-24-12/h4-8,10H,3,9H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea?
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 23607770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).