2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H21N3O3 — CID 135719567

About 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135719567) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135719567
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC1c3ccccc3Oc3ccccc31)CC2
• InChI: InChI=1S/C23H21N3O3/c1-14-24-19-10-11-26(13-18(19)23(28)25-14)22(27)12-17-15-6-2-4-8-20(15)29-21-9-5-3-7-16(17)21/h2-9,17H,10-13H2,1H3,(H,24,25,28)
• InChIKey: HNYPMAOBTMFGHZ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135719567) is 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC1c3ccccc3Oc3ccccc31)CC2.

What is the InChIKey of 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is HNYPMAOBTMFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-24-19-10-11-26(13-18(19)23(28)25-14)22(27)12-17-15-6-2-4-8-20(15)29-21-9-5-3-7-16(17)21/h2-9,17H,10-13H2,1H3,(H,24,25,28).

What are the key properties of 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135719567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).