N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

C23H23N5O4 — CID 16730091

IUPACN-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)cn1
InChIInChI=1S/C23H23N5O4/c1-4-28-14-15(12-26-28)27-23(29)11-20-22(31-3)10-17(13-25-20)32-21-7-8-24-19-9-16(30-2)5-6-18(19)21/h5-10,12-14H,4,11H2,1-3H3,(H,27,29)
InChIKeyQZXMREJVHYOFOD-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.84
Rot. Bonds8

About N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (PubChem CID 16730091) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
PubChem CID16730091
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)cn1
InChIInChI=1S/C23H23N5O4/c1-4-28-14-15(12-26-28)27-23(29)11-20-22(31-3)10-17(13-25-20)32-21-7-8-24-19-9-16(30-2)5-6-18(19)21/h5-10,12-14H,4,11H2,1-3H3,(H,27,29)
InChIKeyQZXMREJVHYOFOD-UHFFFAOYSA-N
XLogP3.84
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (CID 16730091) is N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is CCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The InChIKey is QZXMREJVHYOFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-4-28-14-15(12-26-28)27-23(29)11-20-22(31-3)10-17(13-25-20)32-21-7-8-24-19-9-16(30-2)5-6-18(19)21/h5-10,12-14H,4,11H2,1-3H3,(H,27,29).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 16730091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).