4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide

C26H28N2O5 — CID 123865166

IUPAC4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide
SMILESCc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.O=C=O
InChIInChI=1S/C25H28N2O3.CO2/c1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;2-1-3/h4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);
InChIKeySSWOYWGEQDPYHJ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.47
Rot. Bonds6

About 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide

4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide (PubChem CID 123865166) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide.

Molecular Properties

Compound Name4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide
PubChem CID123865166
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide
SMILESCc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.O=C=O
InChIInChI=1S/C25H28N2O3.CO2/c1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;2-1-3/h4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);
InChIKeySSWOYWGEQDPYHJ-UHFFFAOYSA-N
XLogP4.47
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide?
The IUPAC name of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide (CID 123865166) is 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide.
What is the SMILES notation for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide?
The canonical SMILES for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide is Cc1cc(N)c2c(OCC(C)(C)C(=O)CC3CCOc4ccccc43)cccc2n1.O=C=O.
What is the InChIKey of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide?
The InChIKey is SSWOYWGEQDPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.CO2/c1-16-13-19(26)24-20(27-16)8-6-10-22(24)30-15-25(2,3)23(28)14-17-11-12-29-21-9-5-4-7-18(17)21;2-1-3/h4-10,13,17H,11-12,14-15H2,1-3H3,(H2,26,27);.
What are the key properties of 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide?
4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide has a molecular weight of 448.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylquinolin-5-yl)oxy-1-(3,4-dihydro-2H-chromen-4-yl)-3,3-dimethylbutan-2-one;carbon dioxide is sourced from PubChem (CID 123865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).