(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate

C16H12N2O3 — CID 134087021

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C16H12N2O3/c1-11-7-8-18-13(9-11)17-14(10-15(18)19)21-16(20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBHLUWKYZJTVHPW-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.22
Rot. Bonds2

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

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate (PubChem CID 134087021) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
PubChem CID134087021
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C16H12N2O3/c1-11-7-8-18-13(9-11)17-14(10-15(18)19)21-16(20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBHLUWKYZJTVHPW-UHFFFAOYSA-N
XLogP2.22
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 134105909
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 134119925
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 10804213
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3593940
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
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 2-hydroxy-5-methylbenzoate
CID 18089260
8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10586774
1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
CID 46356408

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate (CID 134087021) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate is Cc1ccn2c(=O)cc(OC(=O)c3ccccc3)nc2c1.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate?
The InChIKey is BHLUWKYZJTVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11-7-8-18-13(9-11)17-14(10-15(18)19)21-16(20)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate has a molecular weight of 280.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate is sourced from PubChem (CID 134087021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).