6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C30H36N4O — CID 143841253

About 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 143841253) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 143841253
• Molecular Formula: C30H36N4O
• Molecular Weight: 468.65 g/mol
• Exact Mass: 468.29
• IUPAC Name: 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
• SMILES: C=C(C)/C=C\C=C(/C)c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(C)C)CC3)cc2)n1
• InChI: InChI=1S/C30H36N4O/c1-20(2)7-6-8-22(5)27-19-25-13-16-31-30(35)28(25)29(33-27)32-26-11-9-23(10-12-26)24-14-17-34(18-15-24)21(3)4/h6-13,16,19,21,24H,1,14-15,17-18H2,2-5H3,(H,31,35)(H,32,33)/b7-6-,22-8+
• InChIKey: HVCXTJCKRJIDTI-PKRQGZDISA-N
• XLogP: 6.79
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.65
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 143841253) is 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is C=C(C)/C=C\C=C(/C)c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(C)C)CC3)cc2)n1.

What is the InChIKey of 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is HVCXTJCKRJIDTI-PKRQGZDISA-N. The full InChI is InChI=1S/C30H36N4O/c1-20(2)7-6-8-22(5)27-19-25-13-16-31-30(35)28(25)29(33-27)32-26-11-9-23(10-12-26)24-14-17-34(18-15-24)21(3)4/h6-13,16,19,21,24H,1,14-15,17-18H2,2-5H3,(H,31,35)(H,32,33)/b7-6-,22-8+.

What are the key properties of 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?

6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 468.65 g/mol, XLogP of 6.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).