6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one

C15H23N3O — CID 115222243

IUPAC6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCNC(C)(C)CN1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-15(2,17-3)10-18-13-6-4-11(9-16)8-12(13)5-7-14(18)19/h4,6,8,17H,5,7,9-10,16H2,1-3H3
InChIKeyHQIJXAQRVROIGD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.42
Rot. Bonds4

About 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one

6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 115222243) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
PubChem CID115222243
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCNC(C)(C)CN1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-15(2,17-3)10-18-13-6-4-11(9-16)8-12(13)5-7-14(18)19/h4,6,8,17H,5,7,9-10,16H2,1-3H3
InChIKeyHQIJXAQRVROIGD-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one (CID 115222243) is 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one is CNC(C)(C)CN1C(=O)CCc2cc(CN)ccc21.
What is the InChIKey of 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HQIJXAQRVROIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,17-3)10-18-13-6-4-11(9-16)8-12(13)5-7-14(18)19/h4,6,8,17H,5,7,9-10,16H2,1-3H3.
What are the key properties of 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one?
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115222243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).