(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one

C19H23N3O — CID 75407554

IUPAC(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
SMILESCN(C)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H23N3O/c1-21(2)16-10-13-22(14-11-16)19(23)8-7-15-9-12-20-18-6-4-3-5-17(15)18/h3-9,12,16H,10-11,13-14H2,1-2H3/b8-7+
InChIKeyDLCUPKFNBZPFJC-BQYQJAHWSA-N
MW309.41 g/mol
LogP2.80
Rot. Bonds3

About (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one

(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one (PubChem CID 75407554) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
PubChem CID75407554
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
SMILESCN(C)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H23N3O/c1-21(2)16-10-13-22(14-11-16)19(23)8-7-15-9-12-20-18-6-4-3-5-17(15)18/h3-9,12,16H,10-11,13-14H2,1-2H3/b8-7+
InChIKeyDLCUPKFNBZPFJC-BQYQJAHWSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-quinolin-4-yl-1-[4-[(2E,4E)-5-quinolin-4-ylpenta-2,4-dienoyl]-1,4-diazepan-1-yl]penta-2,4-dien-1-one
CID 22609544
(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide
CID 109388190
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
(E)-3-quinolin-4-yl-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 19567619
(E)-1-(1-methylpyrazol-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 19565455
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 92921074
(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 71766986
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19560920
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
(E)-1-(4-propan-2-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19557372
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one
CID 123303956

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one (CID 75407554) is (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one is CN(C)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1.
What is the InChIKey of (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one?
The InChIKey is DLCUPKFNBZPFJC-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)16-10-13-22(14-11-16)19(23)8-7-15-9-12-20-18-6-4-3-5-17(15)18/h3-9,12,16H,10-11,13-14H2,1-2H3/b8-7+.
What are the key properties of (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one?
(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 75407554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).