5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H27N3O — CID 81108285

IUPAC5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)C(CNC1CCCc2[nH]c(=O)ccc21)N(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)15(19(3)4)10-17-13-6-5-7-14-12(13)8-9-16(20)18-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyKXDSMJBPRDLQQA-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.93
Rot. Bonds5

About 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108285) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108285
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)C(CNC1CCCc2[nH]c(=O)ccc21)N(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)15(19(3)4)10-17-13-6-5-7-14-12(13)8-9-16(20)18-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyKXDSMJBPRDLQQA-UHFFFAOYSA-N
XLogP1.93
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108285) is 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)C(CNC1CCCc2[nH]c(=O)ccc21)N(C)C.
What is the InChIKey of 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is KXDSMJBPRDLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)15(19(3)4)10-17-13-6-5-7-14-12(13)8-9-16(20)18-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).