2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide

C17H24N2O2 — CID 23433465

IUPAC2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide
SMILESCc1c(C(=O)NOC(C)(C)C)ccc2c1NC(C)(C)C=C2
InChIInChI=1S/C17H24N2O2/c1-11-13(15(20)19-21-16(2,3)4)8-7-12-9-10-17(5,6)18-14(11)12/h7-10,18H,1-6H3,(H,19,20)
InChIKeyWHRLDGRNFSXOAE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.67
Rot. Bonds2

About 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide

2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide (PubChem CID 23433465) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide
PubChem CID23433465
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide
SMILESCc1c(C(=O)NOC(C)(C)C)ccc2c1NC(C)(C)C=C2
InChIInChI=1S/C17H24N2O2/c1-11-13(15(20)19-21-16(2,3)4)8-7-12-9-10-17(5,6)18-14(11)12/h7-10,18H,1-6H3,(H,19,20)
InChIKeyWHRLDGRNFSXOAE-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide?
The IUPAC name of 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide (CID 23433465) is 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide.
What is the SMILES notation for 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide?
The canonical SMILES for 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide is Cc1c(C(=O)NOC(C)(C)C)ccc2c1NC(C)(C)C=C2.
What is the InChIKey of 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide?
The InChIKey is WHRLDGRNFSXOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-13(15(20)19-21-16(2,3)4)8-7-12-9-10-17(5,6)18-14(11)12/h7-10,18H,1-6H3,(H,19,20).
What are the key properties of 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide?
2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-quinoline-7-carboxamide is sourced from PubChem (CID 23433465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).