N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide

C29H32N4O3 — CID 171645441

IUPACN-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)ccc1Oc1ccnc2ccc(OC3CCC3)cc12
InChIInChI=1S/C29H32N4O3/c1-19-14-20(15-28(34)32-21-17-31-33(18-21)29(2,3)4)8-11-26(19)36-27-12-13-30-25-10-9-23(16-24(25)27)35-22-6-5-7-22/h8-14,16-18,22H,5-7,15H2,1-4H3,(H,32,34)
InChIKeyARPYROVZGVCISJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.40
Rot. Bonds7

About N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide

N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide (PubChem CID 171645441) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide
PubChem CID171645441
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)ccc1Oc1ccnc2ccc(OC3CCC3)cc12
InChIInChI=1S/C29H32N4O3/c1-19-14-20(15-28(34)32-21-17-31-33(18-21)29(2,3)4)8-11-26(19)36-27-12-13-30-25-10-9-23(16-24(25)27)35-22-6-5-7-22/h8-14,16-18,22H,5-7,15H2,1-4H3,(H,32,34)
InChIKeyARPYROVZGVCISJ-UHFFFAOYSA-N
XLogP6.40
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide (CID 171645441) is N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide is Cc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)ccc1Oc1ccnc2ccc(OC3CCC3)cc12.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide?
The InChIKey is ARPYROVZGVCISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19-14-20(15-28(34)32-21-17-31-33(18-21)29(2,3)4)8-11-26(19)36-27-12-13-30-25-10-9-23(16-24(25)27)35-22-6-5-7-22/h8-14,16-18,22H,5-7,15H2,1-4H3,(H,32,34).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide?
N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide is sourced from PubChem (CID 171645441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).