(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate

C18H16N2O4 — CID 46660764

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate
SMILESCc1ccn2c(=O)cc(COC(=O)c3ccc(C)c(O)c3)nc2c1
InChIInChI=1S/C18H16N2O4/c1-11-5-6-20-16(7-11)19-14(9-17(20)22)10-24-18(23)13-4-3-12(2)15(21)8-13/h3-9,21H,10H2,1-2H3
InChIKeyPRFRMJOUKYZFAU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.37
Rot. Bonds3

About (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate (PubChem CID 46660764) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate
PubChem CID46660764
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate
SMILESCc1ccn2c(=O)cc(COC(=O)c3ccc(C)c(O)c3)nc2c1
InChIInChI=1S/C18H16N2O4/c1-11-5-6-20-16(7-11)19-14(9-17(20)22)10-24-18(23)13-4-3-12(2)15(21)8-13/h3-9,21H,10H2,1-2H3
InChIKeyPRFRMJOUKYZFAU-UHFFFAOYSA-N
XLogP2.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxy-3-ethoxybenzoate
CID 43033376
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530372
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 43033397
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18203433
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 42897218
methyl 4-[[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356426
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
CID 16605331
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 46646535

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate (CID 46660764) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate is Cc1ccn2c(=O)cc(COC(=O)c3ccc(C)c(O)c3)nc2c1.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate?
The InChIKey is PRFRMJOUKYZFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-5-6-20-16(7-11)19-14(9-17(20)22)10-24-18(23)13-4-3-12(2)15(21)8-13/h3-9,21H,10H2,1-2H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate has a molecular weight of 324.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-hydroxy-4-methylbenzoate is sourced from PubChem (CID 46660764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).