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

C23H24FN3O4 — CID 123514359

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide
SMILESCc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(C)c3)cccc2n1.O=C=O
InChIInChI=1S/C22H24FN3O2.CO2/c1-13-10-15(8-9-16(13)23)21(27)26-22(3,4)12-28-19-7-5-6-18-20(19)17(24)11-14(2)25-18;2-1-3/h5-11H,12H2,1-4H3,(H2,24,25)(H,26,27);
InChIKeyATHLLTFAVLYEQA-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.58
Rot. Bonds5

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

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide (PubChem CID 123514359) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide
PubChem CID123514359
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide
SMILESCc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(C)c3)cccc2n1.O=C=O
InChIInChI=1S/C22H24FN3O2.CO2/c1-13-10-15(8-9-16(13)23)21(27)26-22(3,4)12-28-19-7-5-6-18-20(19)17(24)11-14(2)25-18;2-1-3/h5-11H,12H2,1-4H3,(H2,24,25)(H,26,27);
InChIKeyATHLLTFAVLYEQA-UHFFFAOYSA-N
XLogP3.58
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-fluoro-3-methylbenzamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide (CID 123514359) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide is Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(C)c3)cccc2n1.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide?
The InChIKey is ATHLLTFAVLYEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2.CO2/c1-13-10-15(8-9-16(13)23)21(27)26-22(3,4)12-28-19-7-5-6-18-20(19)17(24)11-14(2)25-18;2-1-3/h5-11H,12H2,1-4H3,(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-fluoro-3-methylbenzamide;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-methylbenzamide;carbon dioxide has a molecular weight of 425.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-fluoro-3-methylbenzamide;carbon dioxide is sourced from PubChem (CID 123514359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).