2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H15ClN2O — CID 9027086

IUPAC2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)c1
InChIInChI=1S/C18H15ClN2O/c1-12-5-3-7-14(9-12)10-15(19)16-11-18(22)21-13(2)6-4-8-17(21)20-16/h3-11H,1-2H3/b15-10-
InChIKeyGBGRITNRFDHCON-GDNBJRDFSA-N
MW310.78 g/mol
LogP4.05
Rot. Bonds2

About 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9027086) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9027086
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)c1
InChIInChI=1S/C18H15ClN2O/c1-12-5-3-7-14(9-12)10-15(19)16-11-18(22)21-13(2)6-4-8-17(21)20-16/h3-11H,1-2H3/b15-10-
InChIKeyGBGRITNRFDHCON-GDNBJRDFSA-N
XLogP4.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9027086) is 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc(/C=C(\Cl)c2cc(=O)n3c(C)cccc3n2)c1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBGRITNRFDHCON-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-12-5-3-7-14(9-12)10-15(19)16-11-18(22)21-13(2)6-4-8-17(21)20-16/h3-11H,1-2H3/b15-10-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 310.78 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9027086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).