3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C18H21FN4O — CID 71590527

IUPAC3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCN(CCc1ccc2c(n1)NCCC2)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H21FN4O/c1-23(18(24)22-16-6-2-5-14(19)12-16)11-9-15-8-7-13-4-3-10-20-17(13)21-15/h2,5-8,12H,3-4,9-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyIAXJQIVAGHNQJI-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.29
Rot. Bonds4

About 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590527) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID71590527
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCN(CCc1ccc2c(n1)NCCC2)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H21FN4O/c1-23(18(24)22-16-6-2-5-14(19)12-16)11-9-15-8-7-13-4-3-10-20-17(13)21-15/h2,5-8,12H,3-4,9-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyIAXJQIVAGHNQJI-UHFFFAOYSA-N
XLogP3.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590527) is 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is CN(CCc1ccc2c(n1)NCCC2)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is IAXJQIVAGHNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-23(18(24)22-16-6-2-5-14(19)12-16)11-9-15-8-7-13-4-3-10-20-17(13)21-15/h2,5-8,12H,3-4,9-11H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 328.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methyl-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).