4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one

C15H20N2O — CID 43775263

IUPAC4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2CCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-14-8-3-2-7-12(14)13(9-15(17)18)16-10-11-5-4-6-11/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyMIORZEQWTYBITF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds3

About 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one

4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 43775263) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID43775263
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2CCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-14-8-3-2-7-12(14)13(9-15(17)18)16-10-11-5-4-6-11/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyMIORZEQWTYBITF-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one (CID 43775263) is 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCC2CCC2)c2ccccc21.
What is the InChIKey of 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is MIORZEQWTYBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14-8-3-2-7-12(14)13(9-15(17)18)16-10-11-5-4-6-11/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3.
What are the key properties of 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43775263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).