N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide

C30H26Cl2N6O4 — CID 145430743

About N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide

N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide (PubChem CID 145430743) has the molecular formula C30H26Cl2N6O4 and a molecular weight of 605.48 g/mol. Its IUPAC name is N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
• PubChem CID: 145430743
• Molecular Formula: C30H26Cl2N6O4
• Molecular Weight: 605.48 g/mol
• Exact Mass: 604.14
• IUPAC Name: N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1cc2c(cn1)cc(-c1c(Cl)c(O)cc(OC)c1Cl)c1nccn12
• InChI: InChI=1S/C30H26Cl2N6O4/c1-3-26(40)36-21-13-18(37-8-10-42-11-9-37)4-5-20(21)35-25-14-22-17(16-34-25)12-19(30-33-6-7-38(22)30)27-28(31)23(39)15-24(41-2)29(27)32/h3-7,12-16,39H,1,8-11H2,2H3,(H,34,35)(H,36,40)
• InChIKey: VIEGXFYHRGVBDK-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 113.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.48
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?

The IUPAC name of N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide (CID 145430743) is N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?

The canonical SMILES for N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide is C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1cc2c(cn1)cc(-c1c(Cl)c(O)cc(OC)c1Cl)c1nccn12.

What is the InChIKey of N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?

The InChIKey is VIEGXFYHRGVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N6O4/c1-3-26(40)36-21-13-18(37-8-10-42-11-9-37)4-5-20(21)35-25-14-22-17(16-34-25)12-19(30-33-6-7-38(22)30)27-28(31)23(39)15-24(41-2)29(27)32/h3-7,12-16,39H,1,8-11H2,2H3,(H,34,35)(H,36,40).

What are the key properties of N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?

N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide has a molecular weight of 605.48 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide is sourced from PubChem (CID 145430743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).