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

C23H25N3O5 — CID 123635642

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide
SMILESCc1cc(O)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C22H25N3O3.CO2/c1-13-8-15(11-16(26)9-13)21(27)25-22(3,4)12-28-19-7-5-6-18-20(19)17(23)10-14(2)24-18;2-1-3/h5-11,26H,12H2,1-4H3,(H2,23,24)(H,25,27);
InChIKeyJWHQUFZIRLXDKA-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.14
Rot. Bonds5

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

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide (PubChem CID 123635642) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide
PubChem CID123635642
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide
SMILESCc1cc(O)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C22H25N3O3.CO2/c1-13-8-15(11-16(26)9-13)21(27)25-22(3,4)12-28-19-7-5-6-18-20(19)17(23)10-14(2)24-18;2-1-3/h5-11,26H,12H2,1-4H3,(H2,23,24)(H,25,27);
InChIKeyJWHQUFZIRLXDKA-UHFFFAOYSA-N
XLogP3.14
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-hydroxy-5-methylbenzamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide (CID 123635642) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide is Cc1cc(O)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide?
The InChIKey is JWHQUFZIRLXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.CO2/c1-13-8-15(11-16(26)9-13)21(27)25-22(3,4)12-28-19-7-5-6-18-20(19)17(23)10-14(2)24-18;2-1-3/h5-11,26H,12H2,1-4H3,(H2,23,24)(H,25,27);.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-5-methylbenzamide;carbon dioxide has a molecular weight of 423.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-hydroxy-5-methylbenzamide;carbon dioxide is sourced from PubChem (CID 123635642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).