6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C13H9ClFN3O2 — CID 79081517

IUPAC6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc(Cl)ncc3F)ccc2N1
InChIInChI=1S/C13H9ClFN3O2/c14-13-16-6-9(15)12(18-13)20-8-2-3-10-7(5-8)1-4-11(19)17-10/h2-3,5-6H,1,4H2,(H,17,19)
InChIKeyFQLTYSABYUJHMF-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.95
Rot. Bonds2

About 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79081517) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID79081517
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc(Cl)ncc3F)ccc2N1
InChIInChI=1S/C13H9ClFN3O2/c14-13-16-6-9(15)12(18-13)20-8-2-3-10-7(5-8)1-4-11(19)17-10/h2-3,5-6H,1,4H2,(H,17,19)
InChIKeyFQLTYSABYUJHMF-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164619236
US10266549, Example 81
CID 118908030
US10266549, Example 83
CID 118908033
US10266549, Example 122
CID 118908073
N~6~-(3-fluoro-4-methoxyphenyl)-2-(4-methylpiperidino)-5,6,7,8-tetrahydro-6-quinazolinecarboxamide
CID 53193935
N-(3-Fluoro-4-methoxyphenyl)-2-(morpholin-4-YL)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193974
6-[2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 53577498
6-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 53578278
2-(Diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836003
Vegfr-2-IN-18
CID 163409075
US10266549, Example 300b
CID 118905628
US10266549, Example 300a
CID 118906158

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 79081517) is 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3nc(Cl)ncc3F)ccc2N1.
What is the InChIKey of 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FQLTYSABYUJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-13-16-6-9(15)12(18-13)20-8-2-3-10-7(5-8)1-4-11(19)17-10/h2-3,5-6H,1,4H2,(H,17,19).
What are the key properties of 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 293.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79081517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).