3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one

C11H15ClN4O2 — CID 87495589

IUPAC3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCC2=C1N=CN(Cl)C2N1CCOCC1
InChIInChI=1S/C11H15ClN4O2/c12-16-7-14-9-8(1-2-13-10(9)17)11(16)15-3-5-18-6-4-15/h7,11H,1-6H2,(H,13,17)
InChIKeyNHEOKICEPHPAOD-UHFFFAOYSA-N
MW270.72 g/mol
LogP-0.08
Rot. Bonds1

About 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one

3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one (PubChem CID 87495589) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one
PubChem CID87495589
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCC2=C1N=CN(Cl)C2N1CCOCC1
InChIInChI=1S/C11H15ClN4O2/c12-16-7-14-9-8(1-2-13-10(9)17)11(16)15-3-5-18-6-4-15/h7,11H,1-6H2,(H,13,17)
InChIKeyNHEOKICEPHPAOD-UHFFFAOYSA-N
XLogP-0.08
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one (CID 87495589) is 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one is O=C1NCCC2=C1N=CN(Cl)C2N1CCOCC1.
What is the InChIKey of 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one?
The InChIKey is NHEOKICEPHPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-16-7-14-9-8(1-2-13-10(9)17)11(16)15-3-5-18-6-4-15/h7,11H,1-6H2,(H,13,17).
What are the key properties of 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one?
3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one has a molecular weight of 270.72 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 87495589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).