N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide

C23H27N3O2 — CID 58460453

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1
InChIInChI=1S/C23H27N3O2/c1-5-16-9-11-17(12-10-16)22(27)26-23(3,4)14-28-20-8-6-7-19-21(20)18(24)13-15(2)25-19/h6-13H,5,14H2,1-4H3,(H2,24,25)(H,26,27)
InChIKeyCFQXHRIASOEXND-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide (PubChem CID 58460453) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide
PubChem CID58460453
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1
InChIInChI=1S/C23H27N3O2/c1-5-16-9-11-17(12-10-16)22(27)26-23(3,4)14-28-20-8-6-7-19-21(20)18(24)13-15(2)25-19/h6-13H,5,14H2,1-4H3,(H2,24,25)(H,26,27)
InChIKeyCFQXHRIASOEXND-UHFFFAOYSA-N
XLogP4.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide (CID 58460453) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide is CCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide?
The InChIKey is CFQXHRIASOEXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-16-9-11-17(12-10-16)22(27)26-23(3,4)14-28-20-8-6-7-19-21(20)18(24)13-15(2)25-19/h6-13H,5,14H2,1-4H3,(H2,24,25)(H,26,27).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide is sourced from PubChem (CID 58460453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).