1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C30H25ClFN5O6 — CID 155674567

About 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155674567) has the molecular formula C30H25ClFN5O6 and a molecular weight of 606.01 g/mol. Its IUPAC name is 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 155674567
• Molecular Formula: C30H25ClFN5O6
• Molecular Weight: 606.01 g/mol
• Exact Mass: 605.15
• IUPAC Name: 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: CNC(=O)c1cc2c(Oc3ncc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3Cl)ccnc2cc1OCC(C)=O
• InChI: InChI=1S/C30H25ClFN5O6/c1-16(38)15-42-25-13-23-20(12-21(25)26(39)34-2)24(7-10-35-23)43-27-22(31)11-19(14-36-27)37(18-5-3-17(32)4-6-18)29(41)30(8-9-30)28(33)40/h3-7,10-14H,8-9,15H2,1-2H3,(H2,33,40)(H,34,39)
• InChIKey: BWVSNCSGNNZUSN-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 153.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.01
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 155674567) is 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CNC(=O)c1cc2c(Oc3ncc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3Cl)ccnc2cc1OCC(C)=O.

What is the InChIKey of 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is BWVSNCSGNNZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN5O6/c1-16(38)15-42-25-13-23-20(12-21(25)26(39)34-2)24(7-10-35-23)43-27-22(31)11-19(14-36-27)37(18-5-3-17(32)4-6-18)29(41)30(8-9-30)28(33)40/h3-7,10-14H,8-9,15H2,1-2H3,(H2,33,40)(H,34,39).

What are the key properties of 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 606.01 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[5-chloro-6-[6-(methylcarbamoyl)-7-(2-oxopropoxy)quinolin-4-yl]oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155674567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).