(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate

C19H17FN2O3 — CID 8552781

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate
SMILESCc1ccc2nc(COC(=O)CCc3ccc(F)cc3)cc(=O)n2c1
InChIInChI=1S/C19H17FN2O3/c1-13-2-8-17-21-16(10-18(23)22(17)11-13)12-25-19(24)9-5-14-3-6-15(20)7-4-14/h2-4,6-8,10-11H,5,9,12H2,1H3
InChIKeyHXDRCOCZFTWZNI-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.82
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate (PubChem CID 8552781) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate
PubChem CID8552781
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate
SMILESCc1ccc2nc(COC(=O)CCc3ccc(F)cc3)cc(=O)n2c1
InChIInChI=1S/C19H17FN2O3/c1-13-2-8-17-21-16(10-18(23)22(17)11-13)12-25-19(24)9-5-14-3-6-15(20)7-4-14/h2-4,6-8,10-11H,5,9,12H2,1H3
InChIKeyHXDRCOCZFTWZNI-UHFFFAOYSA-N
XLogP2.82
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.82
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 4-phenyl-2-(trifluoromethyl)-4h-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 129841820
Ethyl 2-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
CID 138970995
Ethyl 2-(3,4-difluorophenyl)-4-oxoquinolizine-1-carboxylate
CID 138970996
[[Amino-(3-ethyl-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 91027698
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
[7-Chloro-3-(2-methylphenyl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 101543152
[7-chloro-3-[(E)-2-(4-methylphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 134837966
[7-chloro-4-oxo-3-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 134838401

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate (CID 8552781) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate is Cc1ccc2nc(COC(=O)CCc3ccc(F)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate?
The InChIKey is HXDRCOCZFTWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13-2-8-17-21-16(10-18(23)22(17)11-13)12-25-19(24)9-5-14-3-6-15(20)7-4-14/h2-4,6-8,10-11H,5,9,12H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-fluorophenyl)propanoate has a molecular weight of 340.35 g/mol, XLogP of 2.82, 5 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 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8552781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).