1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C56H55IN8O4 — CID 160763698

About 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 160763698) has the molecular formula C56H55IN8O4 and a molecular weight of 1031.01 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
• PubChem CID: 160763698
• Molecular Formula: C56H55IN8O4
• Molecular Weight: 1031.01 g/mol
• Exact Mass: 1030.34
• IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
• SMILES: Cc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1C.O=C(Nc1cccc(I)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
• InChI: InChI=1S/C29H30N4O2.C27H25IN4O2/c1-20-7-9-23(17-21(20)2)31-29(34)32-28-12-11-25(26-5-3-4-6-27(26)28)22-8-10-24(30-18-22)19-33-13-15-35-16-14-33;28-20-4-3-5-21(16-20)30-27(33)31-26-11-10-23(24-6-1-2-7-25(24)26)19-8-9-22(29-17-19)18-32-12-14-34-15-13-32/h3-12,17-18H,13-16,19H2,1-2H3,(H2,31,32,34);1-11,16-17H,12-15,18H2,(H2,30,31,33)
• InChIKey: RYKDZHJXDPHGHO-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 132.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.01
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 160763698) is 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is Cc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1C.O=C(Nc1cccc(I)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.

What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

The InChIKey is RYKDZHJXDPHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2.C27H25IN4O2/c1-20-7-9-23(17-21(20)2)31-29(34)32-28-12-11-25(26-5-3-4-6-27(26)28)22-8-10-24(30-18-22)19-33-13-15-35-16-14-33;28-20-4-3-5-21(16-20)30-27(33)31-26-11-10-23(24-6-1-2-7-25(24)26)19-8-9-22(29-17-19)18-32-12-14-34-15-13-32/h3-12,17-18H,13-16,19H2,1-2H3,(H2,31,32,34);1-11,16-17H,12-15,18H2,(H2,30,31,33).

What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?

1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 1031.01 g/mol, XLogP of 11.98, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 160763698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).