1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea

C18H19FN4O — CID 71160949

IUPAC1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea
SMILESCCNC(=O)NC1=Nc2cc(-c3ccc(F)nc3)ccc2CC1C
InChIInChI=1S/C18H19FN4O/c1-3-20-18(24)23-17-11(2)8-13-5-4-12(9-15(13)22-17)14-6-7-16(19)21-10-14/h4-7,9-11H,3,8H2,1-2H3,(H2,20,22,23,24)
InChIKeyUWZCQGJLXNGIHJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.43
Rot. Bonds2

About 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea

1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea (PubChem CID 71160949) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea
PubChem CID71160949
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea
SMILESCCNC(=O)NC1=Nc2cc(-c3ccc(F)nc3)ccc2CC1C
InChIInChI=1S/C18H19FN4O/c1-3-20-18(24)23-17-11(2)8-13-5-4-12(9-15(13)22-17)14-6-7-16(19)21-10-14/h4-7,9-11H,3,8H2,1-2H3,(H2,20,22,23,24)
InChIKeyUWZCQGJLXNGIHJ-UHFFFAOYSA-N
XLogP3.43
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea (CID 71160949) is 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea is CCNC(=O)NC1=Nc2cc(-c3ccc(F)nc3)ccc2CC1C.
What is the InChIKey of 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea?
The InChIKey is UWZCQGJLXNGIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-3-20-18(24)23-17-11(2)8-13-5-4-12(9-15(13)22-17)14-6-7-16(19)21-10-14/h4-7,9-11H,3,8H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea?
1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea has a molecular weight of 326.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-(6-fluoro-3-pyridinyl)-3-methyl-3,4-dihydroquinolin-2-yl]urea is sourced from PubChem (CID 71160949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).