4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one

C16H20N2O — CID 106226748

IUPAC4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESC#CC(CCC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h2,6-7,9-10,12,14,17H,4,8,11H2,1,3H3
InChIKeyCGAJEUCXHRYIDE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.49
Rot. Bonds4

About 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one

4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 106226748) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID106226748
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESC#CC(CCC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h2,6-7,9-10,12,14,17H,4,8,11H2,1,3H3
InChIKeyCGAJEUCXHRYIDE-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 62119112
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
N-hex-1-yn-3-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106226695
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 115895572
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
CID 61472977
1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one
CID 82940528
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277

Frequently Asked Questions

What is the IUPAC name of 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one (CID 106226748) is 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one is C#CC(CCC)NC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is CGAJEUCXHRYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h2,6-7,9-10,12,14,17H,4,8,11H2,1,3H3.
What are the key properties of 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 106226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).