9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C19H25N3O4 — CID 56879324

IUPAC9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCCC1CN(C(=O)c2cnc3c(O)cccn3c2=O)CCO1
InChIInChI=1S/C19H25N3O4/c1-13(2)5-3-6-14-12-21(9-10-26-14)18(24)15-11-20-17-16(23)7-4-8-22(17)19(15)25/h4,7-8,11,13-14,23H,3,5-6,9-10,12H2,1-2H3
InChIKeyWNMAINWYMVVZIV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.07
Rot. Bonds5

About 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56879324) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56879324
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCCC1CN(C(=O)c2cnc3c(O)cccn3c2=O)CCO1
InChIInChI=1S/C19H25N3O4/c1-13(2)5-3-6-14-12-21(9-10-26-14)18(24)15-11-20-17-16(23)7-4-8-22(17)19(15)25/h4,7-8,11,13-14,23H,3,5-6,9-10,12H2,1-2H3
InChIKeyWNMAINWYMVVZIV-UHFFFAOYSA-N
XLogP2.07
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 56879324) is 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)CCCC1CN(C(=O)c2cnc3c(O)cccn3c2=O)CCO1.
What is the InChIKey of 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WNMAINWYMVVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)5-3-6-14-12-21(9-10-26-14)18(24)15-11-20-17-16(23)7-4-8-22(17)19(15)25/h4,7-8,11,13-14,23H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[2-(4-methylpentyl)morpholine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56879324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).