6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one

C14H21N3O — CID 53392260

IUPAC6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCN(C)CCCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-16(2)8-3-9-17-13-6-5-12(15)10-11(13)4-7-14(17)18/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyGVMURJDZRYUKLA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds4

About 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one

6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 53392260) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
PubChem CID53392260
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCN(C)CCCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-16(2)8-3-9-17-13-6-5-12(15)10-11(13)4-7-14(17)18/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyGVMURJDZRYUKLA-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one (CID 53392260) is 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one is CN(C)CCCN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GVMURJDZRYUKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)8-3-9-17-13-6-5-12(15)10-11(13)4-7-14(17)18/h5-6,10H,3-4,7-9,15H2,1-2H3.
What are the key properties of 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 53392260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).