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

C14H14N4O2S — CID 80865473

IUPAC6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1nc(N)cc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C14H14N4O2S/c1-21-14-17-11(15)7-13(18-14)20-9-3-4-10-8(6-9)2-5-12(19)16-10/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyMVKFLRRDWMDVLF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.46
Rot. Bonds3

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

6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80865473) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID80865473
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1nc(N)cc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C14H14N4O2S/c1-21-14-17-11(15)7-13(18-14)20-9-3-4-10-8(6-9)2-5-12(19)16-10/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyMVKFLRRDWMDVLF-UHFFFAOYSA-N
XLogP2.46
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
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-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80862473
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 103079039
6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 80865656
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 75526069

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 80865473) is 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is CSc1nc(N)cc(Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MVKFLRRDWMDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-21-14-17-11(15)7-13(18-14)20-9-3-4-10-8(6-9)2-5-12(19)16-10/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,15,17,18).
What are the key properties of 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 302.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80865473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).