1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one

C15H18N2O — CID 113341665

IUPAC1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
SMILESCC=CC=CC(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C15H18N2O/c1-2-3-4-10-15(18)17-11-6-7-12-13(16)8-5-9-14(12)17/h2-5,8-10H,6-7,11,16H2,1H3
InChIKeyLLZZVNRNROBUOW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds2

About 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one (PubChem CID 113341665) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
PubChem CID113341665
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
SMILESCC=CC=CC(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C15H18N2O/c1-2-3-4-10-15(18)17-11-6-7-12-13(16)8-5-9-14(12)17/h2-5,8-10H,6-7,11,16H2,1H3
InChIKeyLLZZVNRNROBUOW-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-isoquinolin-4-ylprop-2-en-1-one
CID 126802171
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one (CID 113341665) is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one is CC=CC=CC(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one?
The InChIKey is LLZZVNRNROBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-4-10-15(18)17-11-6-7-12-13(16)8-5-9-14(12)17/h2-5,8-10H,6-7,11,16H2,1H3.
What are the key properties of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one?
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one is sourced from PubChem (CID 113341665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).