(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one

C23H25N3O — CID 10473638

IUPAC(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one
SMILESCN(C)CCN(C)c1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O/c1-25(2)14-15-26(3)21-11-9-19(10-12-21)23(27)13-8-18-16-20-6-4-5-7-22(20)24-17-18/h4-13,16-17H,14-15H2,1-3H3/b13-8+
InChIKeyJGRMARZOCZXYMU-MDWZMJQESA-N
MW359.47 g/mol
LogP4.13
Rot. Bonds7

About (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one

(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one (PubChem CID 10473638) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one
PubChem CID10473638
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one
SMILESCN(C)CCN(C)c1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O/c1-25(2)14-15-26(3)21-11-9-19(10-12-21)23(27)13-8-18-16-20-6-4-5-7-22(20)24-17-18/h4-13,16-17H,14-15H2,1-3H3/b13-8+
InChIKeyJGRMARZOCZXYMU-MDWZMJQESA-N
XLogP4.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 11833608
3-(2,4-dichlorophenyl)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 68744508
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-1-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-one
CID 68744707
3-(4-chlorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 68745012
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
4-[3,7-dimethyloct-6-enyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66815493

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one (CID 10473638) is (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one is CN(C)CCN(C)c1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1.
What is the InChIKey of (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one?
The InChIKey is JGRMARZOCZXYMU-MDWZMJQESA-N. The full InChI is InChI=1S/C23H25N3O/c1-25(2)14-15-26(3)21-11-9-19(10-12-21)23(27)13-8-18-16-20-6-4-5-7-22(20)24-17-18/h4-13,16-17H,14-15H2,1-3H3/b13-8+.
What are the key properties of (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one?
(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one has a molecular weight of 359.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one is sourced from PubChem (CID 10473638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).