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

C24H27N3O4 — CID 123639345

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide
SMILESCCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O
InChIInChI=1S/C23H27N3O2.CO2/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;2-1-3/h6-13H,5,14H2,1-4H3,(H2,24,25)(H,26,27);
InChIKeyDCMRPHRUUFGOQS-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.69
Rot. Bonds6

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

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide (PubChem CID 123639345) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide
PubChem CID123639345
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide
SMILESCCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O
InChIInChI=1S/C23H27N3O2.CO2/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;2-1-3/h6-13H,5,14H2,1-4H3,(H2,24,25)(H,26,27);
InChIKeyDCMRPHRUUFGOQS-UHFFFAOYSA-N
XLogP3.69
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.69
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-ethylbenzamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide (CID 123639345) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide is CCc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide?
The InChIKey is DCMRPHRUUFGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.CO2/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;2-1-3/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;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-ethylbenzamide;carbon dioxide has a molecular weight of 421.50 g/mol, XLogP of 3.69, 6 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-ethylbenzamide;carbon dioxide is sourced from PubChem (CID 123639345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).