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

C24H27N3O5 — CID 123581854

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide
SMILESCOc1cc(C)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C23H27N3O3.CO2/c1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;2-1-3/h6-12H,13H2,1-5H3,(H2,24,25)(H,26,27);
InChIKeySQGVTNLDDRROJN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.45
Rot. Bonds6

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

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide (PubChem CID 123581854) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide
PubChem CID123581854
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide
SMILESCOc1cc(C)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C23H27N3O3.CO2/c1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;2-1-3/h6-12H,13H2,1-5H3,(H2,24,25)(H,26,27);
InChIKeySQGVTNLDDRROJN-UHFFFAOYSA-N
XLogP3.45
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
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-methoxy-5-methylbenzamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide (CID 123581854) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide is COc1cc(C)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-methoxy-5-methylbenzamide;carbon dioxide?
The InChIKey is SQGVTNLDDRROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.CO2/c1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;2-1-3/h6-12H,13H2,1-5H3,(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]-3-methoxy-5-methylbenzamide;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;carbon dioxide has a molecular weight of 437.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 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-methoxy-5-methylbenzamide;carbon dioxide is sourced from PubChem (CID 123581854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).