6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one

C15H16N2O — CID 170631820

IUPAC6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
SMILESC#CC(Cc1cc2cc(C)ccc2[nH]c1=O)NC
InChIInChI=1S/C15H16N2O/c1-4-13(16-3)9-12-8-11-7-10(2)5-6-14(11)17-15(12)18/h1,5-8,13,16H,9H2,2-3H3,(H,17,18)
InChIKeyUSHGCQSBBJFECC-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.60
Rot. Bonds3

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

6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one (PubChem CID 170631820) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
PubChem CID170631820
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
SMILESC#CC(Cc1cc2cc(C)ccc2[nH]c1=O)NC
InChIInChI=1S/C15H16N2O/c1-4-13(16-3)9-12-8-11-7-10(2)5-6-14(11)17-15(12)18/h1,5-8,13,16H,9H2,2-3H3,(H,17,18)
InChIKeyUSHGCQSBBJFECC-UHFFFAOYSA-N
XLogP1.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
CID 170631767
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
CID 84635994
2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632061
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one (CID 170631820) is 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one is C#CC(Cc1cc2cc(C)ccc2[nH]c1=O)NC.
What is the InChIKey of 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one?
The InChIKey is USHGCQSBBJFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-13(16-3)9-12-8-11-7-10(2)5-6-14(11)17-15(12)18/h1,5-8,13,16H,9H2,2-3H3,(H,17,18).
What are the key properties of 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one?
6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one has a molecular weight of 240.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one is sourced from PubChem (CID 170631820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).