6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C13H11ClN4O2 — CID 112725503

IUPAC6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(Cl)cc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H11ClN4O2/c14-10-6-12(18-13(15)17-10)20-8-2-3-9-7(5-8)1-4-11(19)16-9/h2-3,5-6H,1,4H2,(H,16,19)(H2,15,17,18)
InChIKeyOFWKLFWVLANMLW-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.39
Rot. Bonds2

About 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 112725503) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID112725503
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(Cl)cc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H11ClN4O2/c14-10-6-12(18-13(15)17-10)20-8-2-3-9-7(5-8)1-4-11(19)16-9/h2-3,5-6H,1,4H2,(H,16,19)(H2,15,17,18)
InChIKeyOFWKLFWVLANMLW-UHFFFAOYSA-N
XLogP2.39
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80865473
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168
6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80917841
6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 103079039
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 79081517
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 112725503) is 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is Nc1nc(Cl)cc(Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OFWKLFWVLANMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-10-6-12(18-13(15)17-10)20-8-2-3-9-7(5-8)1-4-11(19)16-9/h2-3,5-6H,1,4H2,(H,16,19)(H2,15,17,18).
What are the key properties of 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.71 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 112725503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).