1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea

C18H17F2N3O2 — CID 99585077

IUPAC1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C1CCc2cc(NC(=O)NCCc3ccccc3F)c(F)cc2N1
InChIInChI=1S/C18H17F2N3O2/c19-13-4-2-1-3-11(13)7-8-21-18(25)23-16-9-12-5-6-17(24)22-15(12)10-14(16)20/h1-4,9-10H,5-8H2,(H,22,24)(H2,21,23,25)
InChIKeyARCNCOGJJDTKNW-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.21
Rot. Bonds4

About 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 99585077) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID99585077
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C1CCc2cc(NC(=O)NCCc3ccccc3F)c(F)cc2N1
InChIInChI=1S/C18H17F2N3O2/c19-13-4-2-1-3-11(13)7-8-21-18(25)23-16-9-12-5-6-17(24)22-15(12)10-14(16)20/h1-4,9-10H,5-8H2,(H,22,24)(H2,21,23,25)
InChIKeyARCNCOGJJDTKNW-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 99585344
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 99585754
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 32600536
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
CID 91649819
(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
CID 86801882
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 119034406
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 99585077) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea is O=C1CCc2cc(NC(=O)NCCc3ccccc3F)c(F)cc2N1.
What is the InChIKey of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is ARCNCOGJJDTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-13-4-2-1-3-11(13)7-8-21-18(25)23-16-9-12-5-6-17(24)22-15(12)10-14(16)20/h1-4,9-10H,5-8H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 345.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 99585077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).