(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate

C24H16ClN3O4 — CID 16612587

IUPAC(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C24H16ClN3O4/c25-15-9-10-21-26-16(11-22(29)28(21)12-15)14-32-23(30)13-27-19-7-3-1-5-17(19)24(31)18-6-2-4-8-20(18)27/h1-12H,13-14H2
InChIKeyGKNWBGOMPXLJGU-UHFFFAOYSA-N
MW445.86 g/mol
LogP3.56
Rot. Bonds4

About (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate

(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612587) has the molecular formula C24H16ClN3O4 and a molecular weight of 445.86 g/mol. Its IUPAC name is (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612587
Molecular FormulaC24H16ClN3O4
Molecular Weight445.86 g/mol
Exact Mass445.08
IUPAC Name(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C24H16ClN3O4/c25-15-9-10-21-26-16(11-22(29)28(21)12-15)14-32-23(30)13-27-19-7-3-1-5-17(19)24(31)18-6-2-4-8-20(18)27/h1-12H,13-14H2
InChIKeyGKNWBGOMPXLJGU-UHFFFAOYSA-N
XLogP3.56
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate (CID 16612587) is (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is GKNWBGOMPXLJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O4/c25-15-9-10-21-26-16(11-22(29)28(21)12-15)14-32-23(30)13-27-19-7-3-1-5-17(19)24(31)18-6-2-4-8-20(18)27/h1-12H,13-14H2.
What are the key properties of (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 445.86 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).