N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide

C27H31N5O5 — CID 4908173

About N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide

N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide (PubChem CID 4908173) has the molecular formula C27H31N5O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide.

Molecular Properties

• Compound Name: N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide
• PubChem CID: 4908173
• Molecular Formula: C27H31N5O5
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.23
• IUPAC Name: N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide
• SMILES: CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CN(c3ccccc3OC)CCN21
• InChI: InChI=1S/C27H31N5O5/c1-5-23(33)28-18-10-11-19-17(14-18)15-27(24(34)29(2)26(36)30(3)25(27)35)22-16-31(12-13-32(19)22)20-8-6-7-9-21(20)37-4/h6-11,14,22H,5,12-13,15-16H2,1-4H3,(H,28,33)
• InChIKey: VJECCSRSUOUJGL-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 102.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide?

The IUPAC name of N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide (CID 4908173) is N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide.

What is the SMILES notation for N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide?

The canonical SMILES for N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide is CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CN(c3ccccc3OC)CCN21.

What is the InChIKey of N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide?

The InChIKey is VJECCSRSUOUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5/c1-5-23(33)28-18-10-11-19-17(14-18)15-27(24(34)29(2)26(36)30(3)25(27)35)22-16-31(12-13-32(19)22)20-8-6-7-9-21(20)37-4/h6-11,14,22H,5,12-13,15-16H2,1-4H3,(H,28,33).

What are the key properties of N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide?

N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide has a molecular weight of 505.58 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide is sourced from PubChem (CID 4908173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).