3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one

C15H18N2O — CID 103527928

IUPAC3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)=CCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-11(2)7-8-16-10-13-9-12-5-3-4-6-14(12)17-15(13)18/h3-7,9,16H,8,10H2,1-2H3,(H,17,18)
InChIKeyPIIFEUMZCNXLQO-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.58
Rot. Bonds4

About 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one

3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one (PubChem CID 103527928) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
PubChem CID103527928
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)=CCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-11(2)7-8-16-10-13-9-12-5-3-4-6-14(12)17-15(13)18/h3-7,9,16H,8,10H2,1-2H3,(H,17,18)
InChIKeyPIIFEUMZCNXLQO-UHFFFAOYSA-N
XLogP2.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
CID 111498735
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
CID 103839029
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one (CID 103527928) is 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one is CC(C)=CCNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one?
The InChIKey is PIIFEUMZCNXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)7-8-16-10-13-9-12-5-3-4-6-14(12)17-15(13)18/h3-7,9,16H,8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one?
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103527928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).