9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C14H18ClN3O3 — CID 2868163

IUPAC9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2ccc(CN3CCOCC3)c(O)c2n1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-10-8-12(18)17-3-2-11(13(19)14(17)15-10)9-16-4-6-20-7-5-16;/h2-3,8,19H,4-7,9H2,1H3;1H
InChIKeyRTRNTWQTDKWIMO-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.96
Rot. Bonds2

About 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 2868163) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID2868163
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(=O)n2ccc(CN3CCOCC3)c(O)c2n1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-10-8-12(18)17-3-2-11(13(19)14(17)15-10)9-16-4-6-20-7-5-16;/h2-3,8,19H,4-7,9H2,1H3;1H
InChIKeyRTRNTWQTDKWIMO-UHFFFAOYSA-N
XLogP0.96
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 2868163) is 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cc(=O)n2ccc(CN3CCOCC3)c(O)c2n1.Cl.
What is the InChIKey of 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is RTRNTWQTDKWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-10-8-12(18)17-3-2-11(13(19)14(17)15-10)9-16-4-6-20-7-5-16;/h2-3,8,19H,4-7,9H2,1H3;1H.
What are the key properties of 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 2868163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).