10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

C22H21N3O4 — CID 146440155

About 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 146440155) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
• PubChem CID: 146440155
• Molecular Formula: C22H21N3O4
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.15
• IUPAC Name: 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
• SMILES: COc1cc2c(cc1-c1ccccn1)CN(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
• InChI: InChI=1S/C22H21N3O4/c1-13(2)24-11-14-8-16(18-6-4-5-7-23-18)21(29-3)9-15(14)19-10-20(26)17(22(27)28)12-25(19)24/h4-10,12-13H,11H2,1-3H3,(H,27,28)
• InChIKey: WSSRJTAKNMDQKT-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The IUPAC name of 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 146440155) is 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

What is the SMILES notation for 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The canonical SMILES for 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is COc1cc2c(cc1-c1ccccn1)CN(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.

What is the InChIKey of 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The InChIKey is WSSRJTAKNMDQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13(2)24-11-14-8-16(18-6-4-5-7-23-18)21(29-3)9-15(14)19-10-20(26)17(22(27)28)12-25(19)24/h4-10,12-13H,11H2,1-3H3,(H,27,28).

What are the key properties of 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 146440155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).