6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one

C20H15N5O3 — CID 137272683

IUPAC6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2N1
InChIInChI=1S/C20H15N5O3/c26-17-9-6-12-10-14(7-8-16(12)22-17)28-20-23-18-15(19(27)24-20)11-21-25(18)13-4-2-1-3-5-13/h1-5,7-8,10-11H,6,9H2,(H,22,26)(H,23,24,27)
InChIKeyWTRXMQRLOBRSLR-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.79
Rot. Bonds3

About 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one

6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 137272683) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID137272683
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2N1
InChIInChI=1S/C20H15N5O3/c26-17-9-6-12-10-14(7-8-16(12)22-17)28-20-23-18-15(19(27)24-20)11-21-25(18)13-4-2-1-3-5-13/h1-5,7-8,10-11H,6,9H2,(H,22,26)(H,23,24,27)
InChIKeyWTRXMQRLOBRSLR-UHFFFAOYSA-N
XLogP2.79
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248379
N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
CID 137258332
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzoate
CID 137258314
6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258082
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 75526069
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 8521216
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002340
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081

Frequently Asked Questions

What is the IUPAC name of 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one (CID 137272683) is 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2N1.
What is the InChIKey of 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WTRXMQRLOBRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-17-9-6-12-10-14(7-8-16(12)22-17)28-20-23-18-15(19(27)24-20)11-21-25(18)13-4-2-1-3-5-13/h1-5,7-8,10-11H,6,9H2,(H,22,26)(H,23,24,27).
What are the key properties of 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 373.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 137272683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).