3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one

C14H18N2O — CID 84626143

IUPAC3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(C)(C)CN)cc2ccccc21
InChIInChI=1S/C14H18N2O/c1-14(2,9-15)11-8-10-6-4-5-7-12(10)16(3)13(11)17/h4-8H,9,15H2,1-3H3
InChIKeyORJDUGLGOPCFPN-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds2

About 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one

3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one (PubChem CID 84626143) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
PubChem CID84626143
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(C)(C)CN)cc2ccccc21
InChIInChI=1S/C14H18N2O/c1-14(2,9-15)11-8-10-6-4-5-7-12(10)16(3)13(11)17/h4-8H,9,15H2,1-3H3
InChIKeyORJDUGLGOPCFPN-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one (CID 84626143) is 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one is Cn1c(=O)c(C(C)(C)CN)cc2ccccc21.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one?
The InChIKey is ORJDUGLGOPCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,9-15)11-8-10-6-4-5-7-12(10)16(3)13(11)17/h4-8H,9,15H2,1-3H3.
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one?
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one is sourced from PubChem (CID 84626143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).