N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide

C22H25N3O2 — CID 58460321

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1
InChIInChI=1S/C22H25N3O2/c1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18/h5-12H,13H2,1-4H3,(H2,23,24)(H,25,26)
InChIKeyYNXXPOZMYFWXRV-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide (PubChem CID 58460321) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide
PubChem CID58460321
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1
InChIInChI=1S/C22H25N3O2/c1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18/h5-12H,13H2,1-4H3,(H2,23,24)(H,25,26)
InChIKeyYNXXPOZMYFWXRV-UHFFFAOYSA-N
XLogP4.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.02
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]-3-methylbenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide (CID 58460321) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide?
The InChIKey is YNXXPOZMYFWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18/h5-12H,13H2,1-4H3,(H2,23,24)(H,25,26).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.02, 5 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]-3-methylbenzamide is sourced from PubChem (CID 58460321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).