N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

C23H21FN4O3 — CID 24758982

IUPACN-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1
InChIInChI=1S/C23H21FN4O3/c1-3-28-14-17(13-26-28)27-23(29)10-15-4-6-18(12-22(15)30-2)31-21-8-9-25-20-7-5-16(24)11-19(20)21/h4-9,11-14H,3,10H2,1-2H3,(H,27,29)
InChIKeyVCWSLEWLUZQPBS-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.57
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (PubChem CID 24758982) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
PubChem CID24758982
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1
InChIInChI=1S/C23H21FN4O3/c1-3-28-14-17(13-26-28)27-23(29)10-15-4-6-18(12-22(15)30-2)31-21-8-9-25-20-7-5-16(24)11-19(20)21/h4-9,11-14H,3,10H2,1-2H3,(H,27,29)
InChIKeyVCWSLEWLUZQPBS-UHFFFAOYSA-N
XLogP4.57
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (CID 24758982) is N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The InChIKey is VCWSLEWLUZQPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-28-14-17(13-26-28)27-23(29)10-15-4-6-18(12-22(15)30-2)31-21-8-9-25-20-7-5-16(24)11-19(20)21/h4-9,11-14H,3,10H2,1-2H3,(H,27,29).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is sourced from PubChem (CID 24758982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).