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

C19H17ClN2O3 — CID 166191008

IUPAC(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(C)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H17ClN2O3/c1-12-3-5-14(6-4-12)13(2)19(24)25-11-16-9-18(23)22-10-15(20)7-8-17(22)21-16/h3-10,13H,11H2,1-2H3
InChIKeyCLDWWNPPAGYGBD-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.50
Rot. Bonds4

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

(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate (PubChem CID 166191008) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
PubChem CID166191008
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(C)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H17ClN2O3/c1-12-3-5-14(6-4-12)13(2)19(24)25-11-16-9-18(23)22-10-15(20)7-8-17(22)21-16/h3-10,13H,11H2,1-2H3
InChIKeyCLDWWNPPAGYGBD-UHFFFAOYSA-N
XLogP3.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate?
The IUPAC name of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate (CID 166191008) is (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate.
What is the SMILES notation for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate?
The canonical SMILES for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate is Cc1ccc(C(C)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1.
What is the InChIKey of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate?
The InChIKey is CLDWWNPPAGYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-3-5-14(6-4-12)13(2)19(24)25-11-16-9-18(23)22-10-15(20)7-8-17(22)21-16/h3-10,13H,11H2,1-2H3.
What are the key properties of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate?
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate has a molecular weight of 356.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate is sourced from PubChem (CID 166191008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).