1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide

C30H28ClN5O5 — CID 146576289

About 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide

1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (PubChem CID 146576289) has the molecular formula C30H28ClN5O5 and a molecular weight of 574.04 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
• PubChem CID: 146576289
• Molecular Formula: C30H28ClN5O5
• Molecular Weight: 574.04 g/mol
• Exact Mass: 573.18
• IUPAC Name: 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
• SMILES: CCOc1cn(-c2ccc(Cl)cc2C)nc1C(=O)Nc1ccc(OCc2ccnc3cc(OC)c(OC)cc23)cn1
• InChI: InChI=1S/C30H28ClN5O5/c1-5-40-27-16-36(24-8-6-20(31)12-18(24)2)35-29(27)30(37)34-28-9-7-21(15-33-28)41-17-19-10-11-32-23-14-26(39-4)25(38-3)13-22(19)23/h6-16H,5,17H2,1-4H3,(H,33,34,37)
• InChIKey: UHTZWOAVKJXWJB-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 109.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.04
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?

The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (CID 146576289) is 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?

The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is CCOc1cn(-c2ccc(Cl)cc2C)nc1C(=O)Nc1ccc(OCc2ccnc3cc(OC)c(OC)cc23)cn1.

What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?

The InChIKey is UHTZWOAVKJXWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O5/c1-5-40-27-16-36(24-8-6-20(31)12-18(24)2)35-29(27)30(37)34-28-9-7-21(15-33-28)41-17-19-10-11-32-23-14-26(39-4)25(38-3)13-22(19)23/h6-16H,5,17H2,1-4H3,(H,33,34,37).

What are the key properties of 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?

1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide has a molecular weight of 574.04 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is sourced from PubChem (CID 146576289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).