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

C20H20N2O3 — CID 51280602

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C20H20N2O3/c1-14-4-3-5-16(10-14)7-9-20(24)25-13-17-11-19(23)22-12-15(2)6-8-18(22)21-17/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyGEJRNFOFWHWPJA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.99
Rot. Bonds5

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate (PubChem CID 51280602) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate
PubChem CID51280602
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C20H20N2O3/c1-14-4-3-5-16(10-14)7-9-20(24)25-13-17-11-19(23)22-12-15(2)6-8-18(22)21-17/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyGEJRNFOFWHWPJA-UHFFFAOYSA-N
XLogP2.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.99
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
[3-[3,5-Bis(trifluoromethyl)phenyl]-7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl]methyl acetate
CID 101543153
Dimethyl 1-isopropyl-6-(isopropylimino)-4-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675022
(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
Ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate
CID 138970990
Oct-1-en-3-yl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate
CID 138971003
Ethyl 1-isopropyl-6-(isopropylimino)-2-methyl-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674971

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate (CID 51280602) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate is Cc1cccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate?
The InChIKey is GEJRNFOFWHWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-4-3-5-16(10-14)7-9-20(24)25-13-17-11-19(23)22-12-15(2)6-8-18(22)21-17/h3-6,8,10-12H,7,9,13H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-methylphenyl)propanoate has a molecular weight of 336.39 g/mol, XLogP of 2.99, 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-(3-methylphenyl)propanoate is sourced from PubChem (CID 51280602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).