7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C31H34N4O2 — CID 163223110

About 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 163223110) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 163223110
• Molecular Formula: C31H34N4O2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.27
• IUPAC Name: 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1ccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4OCc4ccccc4)C3)c2c1
• InChI: InChI=1S/C31H34N4O2/c1-22-13-14-24-10-6-12-29(27(24)18-22)35-17-15-26-28(19-35)32-31(37-21-25-11-7-16-34(25)2)33-30(26)36-20-23-8-4-3-5-9-23/h3-6,8-10,12-14,18,25H,7,11,15-17,19-21H2,1-2H3/t25-/m0/s1
• InChIKey: ZKIUNOUQVGMHEK-VWLOTQADSA-N
• XLogP: 5.55
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 163223110) is 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4OCc4ccccc4)C3)c2c1.

What is the InChIKey of 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is ZKIUNOUQVGMHEK-VWLOTQADSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-22-13-14-24-10-6-12-29(27(24)18-22)35-17-15-26-28(19-35)32-31(37-21-25-11-7-16-34(25)2)33-30(26)36-20-23-8-4-3-5-9-23/h3-6,8-10,12-14,18,25H,7,11,15-17,19-21H2,1-2H3/t25-/m0/s1.

What are the key properties of 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 494.64 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163223110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).