1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one

C14H15NO — CID 166787570

IUPAC1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
SMILESCC#CC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H15NO/c1-3-6-14(16)15-10-11(2)9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,9-10H2,1-2H3
InChIKeyQANVZLYLFUPYCT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.24
Rot. Bonds

About 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one (PubChem CID 166787570) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
PubChem CID166787570
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
SMILESCC#CC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H15NO/c1-3-6-14(16)15-10-11(2)9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,9-10H2,1-2H3
InChIKeyQANVZLYLFUPYCT-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one (CID 166787570) is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one is CC#CC(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one?
The InChIKey is QANVZLYLFUPYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-6-14(16)15-10-11(2)9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one?
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one is sourced from PubChem (CID 166787570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).