1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

C24H24FN5O4 — CID 56603407

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 56603407) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
• PubChem CID: 56603407
• Molecular Formula: C24H24FN5O4
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.18
• IUPAC Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)cc3F)c2cc1OC
• InChI: InChI=1S/C24H24FN5O4/c1-14(2)30-13-16(12-27-30)29-24(31)28-15-5-6-21(18(25)9-15)34-20-7-8-26-19-11-23(33-4)22(32-3)10-17(19)20/h5-14H,1-4H3,(H2,28,29,31)
• InChIKey: HIHQXEXFRLQWMF-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 99.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?

The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 56603407) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?

The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4cnn(C(C)C)c4)cc3F)c2cc1OC.

What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?

The InChIKey is HIHQXEXFRLQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-14(2)30-13-16(12-27-30)29-24(31)28-15-5-6-21(18(25)9-15)34-20-7-8-26-19-11-23(33-4)22(32-3)10-17(19)20/h5-14H,1-4H3,(H2,28,29,31).

What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 465.49 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 56603407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).