(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate

C18H15FN2O3 — CID 7549731

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccccc3F)cc(=O)n2c1
InChIInChI=1S/C18H15FN2O3/c1-12-6-7-16-20-14(9-17(22)21(16)10-12)11-24-18(23)8-13-4-2-3-5-15(13)19/h2-7,9-10H,8,11H2,1H3
InChIKeyIOEMDPHHGDODAV-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.43
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate (PubChem CID 7549731) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate
PubChem CID7549731
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccccc3F)cc(=O)n2c1
InChIInChI=1S/C18H15FN2O3/c1-12-6-7-16-20-14(9-17(22)21(16)10-12)11-24-18(23)8-13-4-2-3-5-15(13)19/h2-7,9-10H,8,11H2,1H3
InChIKeyIOEMDPHHGDODAV-UHFFFAOYSA-N
XLogP2.43
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenylcyclopropane-1-carboxylate
CID 8492840
[7-Chloro-3-(4-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 101543143
[7-Chloro-4-oxo-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 101543146
Ethyl 2-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
CID 138970995
Ethyl 2-(3,4-difluorophenyl)-4-oxoquinolizine-1-carboxylate
CID 138970996
[(Z)-[amino-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 58101097
[[Amino-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 76655932
[[Amino-(3-ethyl-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 91027698
Ethyl 4-[4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]benzoate
CID 142554290
Ethyl 4-[3-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]benzoate
CID 142554291
2-(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl 2-(trifluoromethyl)benzoate
CID 177154417
(7-Chloro-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl)methyl acetate
CID 101543141

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate (CID 7549731) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate is Cc1ccc2nc(COC(=O)Cc3ccccc3F)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate?
The InChIKey is IOEMDPHHGDODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-12-6-7-16-20-14(9-17(22)21(16)10-12)11-24-18(23)8-13-4-2-3-5-15(13)19/h2-7,9-10H,8,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate has a molecular weight of 326.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 7549731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).