4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one

C13H13N3O — CID 136769456

IUPAC4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCc3cccnc32)nc[nH]1
InChIInChI=1S/C13H13N3O/c17-12-7-11(15-8-16-12)10-5-1-3-9-4-2-6-14-13(9)10/h2,4,6-8,10H,1,3,5H2,(H,15,16,17)
InChIKeyKDFHIUCEHGOAKB-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.63
Rot. Bonds1

About 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one

4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one (PubChem CID 136769456) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
PubChem CID136769456
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCc3cccnc32)nc[nH]1
InChIInChI=1S/C13H13N3O/c17-12-7-11(15-8-16-12)10-5-1-3-9-4-2-6-14-13(9)10/h2,4,6-8,10H,1,3,5H2,(H,15,16,17)
InChIKeyKDFHIUCEHGOAKB-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769457
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
N-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824856
6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776905
5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
CID 106519088
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one (CID 136769456) is 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one is O=c1cc(C2CCCc3cccnc32)nc[nH]1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The InChIKey is KDFHIUCEHGOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-12-7-11(15-8-16-12)10-5-1-3-9-4-2-6-14-13(9)10/h2,4,6-8,10H,1,3,5H2,(H,15,16,17).
What are the key properties of 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).