9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

C21H22N4O4 — CID 118709076

IUPAC9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC(Nc1ccccc1)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C21H22N4O4/c1-14(22-16-5-3-2-4-6-16)17-11-15(21(27)28)13-25-19(26)12-18(23-20(17)25)24-7-9-29-10-8-24/h2-6,11-14,22H,7-10H2,1H3,(H,27,28)
InChIKeyFFPYSWFIIWOKHH-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.40
Rot. Bonds5

About 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 118709076) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID118709076
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC(Nc1ccccc1)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C21H22N4O4/c1-14(22-16-5-3-2-4-6-16)17-11-15(21(27)28)13-25-19(26)12-18(23-20(17)25)24-7-9-29-10-8-24/h2-6,11-14,22H,7-10H2,1H3,(H,27,28)
InChIKeyFFPYSWFIIWOKHH-UHFFFAOYSA-N
XLogP2.40
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid 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 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 118709076) is 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is CC(Nc1ccccc1)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is FFPYSWFIIWOKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14(22-16-5-3-2-4-6-16)17-11-15(21(27)28)13-25-19(26)12-18(23-20(17)25)24-7-9-29-10-8-24/h2-6,11-14,22H,7-10H2,1H3,(H,27,28).
What are the key properties of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 118709076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).