2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide

C20H13Cl2N3O3 — CID 46202556

IUPAC2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12
InChIInChI=1S/C20H13Cl2N3O3/c1-28-15-4-2-3-12-18(15)25-17-13(19(12)26)7-11(22)8-14(17)20(27)24-16-9-10(21)5-6-23-16/h2-9H,1H3,(H,25,26)(H,23,24,27)
InChIKeyGQTWBBSVPZQOLR-UHFFFAOYSA-N
MW414.25 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide

2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide (PubChem CID 46202556) has the molecular formula C20H13Cl2N3O3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
PubChem CID46202556
Molecular FormulaC20H13Cl2N3O3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12
InChIInChI=1S/C20H13Cl2N3O3/c1-28-15-4-2-3-12-18(15)25-17-13(19(12)26)7-11(22)8-14(17)20(27)24-16-9-10(21)5-6-23-16/h2-9H,1H3,(H,25,26)(H,23,24,27)
InChIKeyGQTWBBSVPZQOLR-UHFFFAOYSA-N
XLogP4.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide (CID 46202556) is 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide is COc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12.
What is the InChIKey of 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is GQTWBBSVPZQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3/c1-28-15-4-2-3-12-18(15)25-17-13(19(12)26)7-11(22)8-14(17)20(27)24-16-9-10(21)5-6-23-16/h2-9H,1H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide?
2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 414.25 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 46202556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).