[6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide

C24H28ClN6O2- — CID 142380911

About [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide

[6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide (PubChem CID 142380911) has the molecular formula C24H28ClN6O2- and a molecular weight of 467.98 g/mol. Its IUPAC name is [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide.

Molecular Properties

• Compound Name: [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
• PubChem CID: 142380911
• Molecular Formula: C24H28ClN6O2-
• Molecular Weight: 467.98 g/mol
• Exact Mass: 467.20
• IUPAC Name: [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
• SMILES: COc1cccc(-c2cc3cnc([N-]C4CCOC4)nc3c(NCC3CCCN3C)n2)c1Cl
• InChI: InChI=1S/C24H28ClN6O2/c1-31-9-4-5-17(31)13-26-23-22-15(12-27-24(30-22)28-16-8-10-33-14-16)11-19(29-23)18-6-3-7-20(32-2)21(18)25/h3,6-7,11-12,16-17H,4-5,8-10,13-14H2,1-2H3,(H-,26,27,28,29,30)/q-1
• InChIKey: HXAOWPXEGMRTIE-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 86.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.98
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?

The IUPAC name of [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide (CID 142380911) is [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide.

What is the SMILES notation for [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?

The canonical SMILES for [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide is COc1cccc(-c2cc3cnc([N-]C4CCOC4)nc3c(NCC3CCCN3C)n2)c1Cl.

What is the InChIKey of [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?

The InChIKey is HXAOWPXEGMRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN6O2/c1-31-9-4-5-17(31)13-26-23-22-15(12-27-24(30-22)28-16-8-10-33-14-16)11-19(29-23)18-6-3-7-20(32-2)21(18)25/h3,6-7,11-12,16-17H,4-5,8-10,13-14H2,1-2H3,(H-,26,27,28,29,30)/q-1.

What are the key properties of [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?

[6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide has a molecular weight of 467.98 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide is sourced from PubChem (CID 142380911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).