7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C11H12Cl2N2O — CID 3053806

IUPAC7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccc(Cl)cn2c1=O.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15;/h4-6H,3H2,1-2H3;1H
InChIKeyFBSYYXXCZITRCC-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.64
Rot. Bonds1

About 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053806) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053806
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccc(Cl)cn2c1=O.Cl
InChIInChI=1S/C11H11ClN2O.ClH/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15;/h4-6H,3H2,1-2H3;1H
InChIKeyFBSYYXXCZITRCC-UHFFFAOYSA-N
XLogP2.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053806) is 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCc1c(C)nc2ccc(Cl)cn2c1=O.Cl.
What is the InChIKey of 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is FBSYYXXCZITRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.ClH/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15;/h4-6H,3H2,1-2H3;1H.
What are the key properties of 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).