4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide

C24H26N2O4 — CID 123203295

IUPAC4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide
SMILESCc1ccc(CC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O
InChIInChI=1S/C23H26N2O2.CO2/c1-15-8-10-17(11-9-15)13-21(26)23(3,4)14-27-20-7-5-6-19-22(20)18(24)12-16(2)25-19;2-1-3/h5-12H,13-14H2,1-4H3,(H2,24,25);
InChIKeyXHDGNWGICDEFJX-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.07
Rot. Bonds6

About 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide

4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide (PubChem CID 123203295) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide.

Molecular Properties

Compound Name4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide
PubChem CID123203295
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide
SMILESCc1ccc(CC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O
InChIInChI=1S/C23H26N2O2.CO2/c1-15-8-10-17(11-9-15)13-21(26)23(3,4)14-27-20-7-5-6-19-22(20)18(24)12-16(2)25-19;2-1-3/h5-12H,13-14H2,1-4H3,(H2,24,25);
InChIKeyXHDGNWGICDEFJX-UHFFFAOYSA-N
XLogP4.07
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one
CID 157082515
3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 122414021
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide;carbon dioxide
CID 123992201
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
CID 58460379
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(3-hydroxypropoxy)-4-methoxybenzamide;carbon dioxide
CID 159342253
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)
CID 158193310
5-(2-ethylbutoxy)-2-methylquinolin-4-amine
CID 58460399
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
5-(cyclopentylmethoxy)-2-methylquinolin-4-amine
CID 58460313
1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 58460342

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide?
The IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide (CID 123203295) is 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide.
What is the SMILES notation for 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide?
The canonical SMILES for 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide is Cc1ccc(CC(=O)C(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O.
What is the InChIKey of 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide?
The InChIKey is XHDGNWGICDEFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2.CO2/c1-15-8-10-17(11-9-15)13-21(26)23(3,4)14-27-20-7-5-6-19-22(20)18(24)12-16(2)25-19;2-1-3/h5-12H,13-14H2,1-4H3,(H2,24,25);.
What are the key properties of 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide?
4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide has a molecular weight of 406.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide is sourced from PubChem (CID 123203295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).