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

C23H27N3O3 — CID 58460304

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1C
InChIInChI=1S/C23H27N3O3/c1-14-9-10-16(12-20(14)28-5)22(27)26-23(3,4)13-29-19-8-6-7-18-21(19)17(24)11-15(2)25-18/h6-12H,13H2,1-5H3,(H2,24,25)(H,26,27)
InChIKeyVEFASIXIPNCFCO-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.03
Rot. Bonds6

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

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide (PubChem CID 58460304) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide
PubChem CID58460304
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1C
InChIInChI=1S/C23H27N3O3/c1-14-9-10-16(12-20(14)28-5)22(27)26-23(3,4)13-29-19-8-6-7-18-21(19)17(24)11-15(2)25-18/h6-12H,13H2,1-5H3,(H2,24,25)(H,26,27)
InChIKeyVEFASIXIPNCFCO-UHFFFAOYSA-N
XLogP4.03
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide (CID 58460304) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1C.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is VEFASIXIPNCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-9-10-16(12-20(14)28-5)22(27)26-23(3,4)13-29-19-8-6-7-18-21(19)17(24)11-15(2)25-18/h6-12H,13H2,1-5H3,(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]-3-methoxy-4-methylbenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-methoxy-4-methylbenzamide is sourced from PubChem (CID 58460304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).