1-methyl-4-(pent-3-ynylamino)quinolin-2-one

C15H16N2O — CID 116644399

IUPAC1-methyl-4-(pent-3-ynylamino)quinolin-2-one
SMILESCC#CCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-4-7-10-16-13-11-15(18)17(2)14-9-6-5-8-12(13)14/h5-6,8-9,11,16H,7,10H2,1-2H3
InChIKeySPNCXFIRYWXIBT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.36
Rot. Bonds3

About 1-methyl-4-(pent-3-ynylamino)quinolin-2-one

1-methyl-4-(pent-3-ynylamino)quinolin-2-one (PubChem CID 116644399) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methyl-4-(pent-3-ynylamino)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(pent-3-ynylamino)quinolin-2-one
PubChem CID116644399
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-methyl-4-(pent-3-ynylamino)quinolin-2-one
SMILESCC#CCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-4-7-10-16-13-11-15(18)17(2)14-9-6-5-8-12(13)14/h5-6,8-9,11,16H,7,10H2,1-2H3
InChIKeySPNCXFIRYWXIBT-UHFFFAOYSA-N
XLogP2.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(butylamino)-1-methylquinolin-2-one
CID 81244865
1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
CID 81244482
4-(3-aminobutylamino)-1-methylquinolin-2-one
CID 81237638
4-(5-hydroxypentylamino)-1-methylquinolin-2-one
CID 107318105
3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide
CID 81243850
1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
CID 81243681
1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
CID 81244191
1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
CID 81244474
1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
CID 81244304
4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one
CID 81244421
1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
CID 81244583
1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
CID 81244561

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pent-3-ynylamino)quinolin-2-one?
The IUPAC name of 1-methyl-4-(pent-3-ynylamino)quinolin-2-one (CID 116644399) is 1-methyl-4-(pent-3-ynylamino)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(pent-3-ynylamino)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(pent-3-ynylamino)quinolin-2-one is CC#CCCNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(pent-3-ynylamino)quinolin-2-one?
The InChIKey is SPNCXFIRYWXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-4-7-10-16-13-11-15(18)17(2)14-9-6-5-8-12(13)14/h5-6,8-9,11,16H,7,10H2,1-2H3.
What are the key properties of 1-methyl-4-(pent-3-ynylamino)quinolin-2-one?
1-methyl-4-(pent-3-ynylamino)quinolin-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pent-3-ynylamino)quinolin-2-one is sourced from PubChem (CID 116644399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).