1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea

C16H15FN4O2 — CID 99585746

IUPAC1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C1CCc2cc(NC(=O)NCc3ccccn3)c(F)cc2N1
InChIInChI=1S/C16H15FN4O2/c17-12-8-13-10(4-5-15(22)20-13)7-14(12)21-16(23)19-9-11-3-1-2-6-18-11/h1-3,6-8H,4-5,9H2,(H,20,22)(H2,19,21,23)
InChIKeyWDHJNKSUHPZPJT-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.43
Rot. Bonds3

About 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 99585746) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID99585746
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C1CCc2cc(NC(=O)NCc3ccccn3)c(F)cc2N1
InChIInChI=1S/C16H15FN4O2/c17-12-8-13-10(4-5-15(22)20-13)7-14(12)21-16(23)19-9-11-3-1-2-6-18-11/h1-3,6-8H,4-5,9H2,(H,20,22)(H2,19,21,23)
InChIKeyWDHJNKSUHPZPJT-UHFFFAOYSA-N
XLogP2.43
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 99585754
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
2-oxo-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-7-carboxamide
CID 166369977
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126815508
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
CID 91649819

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea (CID 99585746) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea is O=C1CCc2cc(NC(=O)NCc3ccccn3)c(F)cc2N1.
What is the InChIKey of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is WDHJNKSUHPZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-12-8-13-10(4-5-15(22)20-13)7-14(12)21-16(23)19-9-11-3-1-2-6-18-11/h1-3,6-8H,4-5,9H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea?
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 314.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 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-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 99585746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).