[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

C22H21N3O3 — CID 10068065

IUPAC[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESCN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+
InChIKeyTXWOPIYXJHZUND-PKNBQFBNSA-N
MW375.43 g/mol
LogP3.44
Rot. Bonds5

About [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (PubChem CID 10068065) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
PubChem CID10068065
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESCN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+
InChIKeyTXWOPIYXJHZUND-PKNBQFBNSA-N
XLogP3.44
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
Ethyl quinoline-3-carboxylate
CID 282842
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] quinoline-3-carboxylate
CID 9971799
Quinoline-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44371763
[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
CID 73347339
Ethyl 6-phenylquinoline-3-carboxylate
CID 168299038
1-Methylpiperidin-4-yl quinoline-6-carboxylate--hydrogen chloride (1/1)
CID 12403523
Ethyl 10-methyl-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567538
Ethyl 2-(pyridin-4-yl)quinoline-4-carboxylate
CID 46253501
Ethyl 3-benzoyl-7-(4-pyridyl)indolizine-1-carboxylate
CID 3467029
1-(8-[1,3]Dioxolan-4-yl-4-o-tolylamino-quinolin-3-yl)-butan-1-one
CID 10068123

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (CID 10068065) is [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is CN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12.
What is the InChIKey of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The InChIKey is TXWOPIYXJHZUND-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+.
What are the key properties of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 10068065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).