2-amino-2-methyl-1-quinolin-3-ylpentan-1-one

C15H18N2O — CID 116556948

IUPAC2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-3-8-15(2,16)14(18)12-9-11-6-4-5-7-13(11)17-10-12/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyQMFRARLMEQPMKY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one

2-amino-2-methyl-1-quinolin-3-ylpentan-1-one (PubChem CID 116556948) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
PubChem CID116556948
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-3-8-15(2,16)14(18)12-9-11-6-4-5-7-13(11)17-10-12/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyQMFRARLMEQPMKY-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one (CID 116556948) is 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one is CCCC(C)(N)C(=O)c1cnc2ccccc2c1.
What is the InChIKey of 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one?
The InChIKey is QMFRARLMEQPMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-8-15(2,16)14(18)12-9-11-6-4-5-7-13(11)17-10-12/h4-7,9-10H,3,8,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one?
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-quinolin-3-ylpentan-1-one is sourced from PubChem (CID 116556948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).