6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one

C14H16N2O — CID 170465069

IUPAC6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCCC#Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H16N2O/c1-15-9-3-2-4-11-5-7-13-12(10-11)6-8-14(17)16-13/h5,7,10,15H,3,6,8-9H2,1H3,(H,16,17)
InChIKeyQMRGUMRYYMHDEK-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.53
Rot. Bonds2

About 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 170465069) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID170465069
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCCC#Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H16N2O/c1-15-9-3-2-4-11-5-7-13-12(10-11)6-8-14(17)16-13/h5,7,10,15H,3,6,8-9H2,1H3,(H,16,17)
InChIKeyQMRGUMRYYMHDEK-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]propanenitrile
CID 115230866
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
1-(2,5-dimethylphenyl)-3-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)but-3-yn-2-yl]urea
CID 176667616
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one (CID 170465069) is 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one is CNCCC#Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QMRGUMRYYMHDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-9-3-2-4-11-5-7-13-12(10-11)6-8-14(17)16-13/h5,7,10,15H,3,6,8-9H2,1H3,(H,16,17).
What are the key properties of 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)but-1-ynyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 170465069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).