(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

C19H16ClN3O — CID 6212485

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCc2ccccc2C1
InChIInChI=1S/C19H16ClN3O/c20-19-16(23-11-4-3-7-17(23)21-19)8-9-18(24)22-12-10-14-5-1-2-6-15(14)13-22/h1-9,11H,10,12-13H2/b9-8+
InChIKeyIILJROVPYCXZGC-CMDGGOBGSA-N
MW337.81 g/mol
LogP3.59
Rot. Bonds2

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one (PubChem CID 6212485) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
PubChem CID6212485
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCc2ccccc2C1
InChIInChI=1S/C19H16ClN3O/c20-19-16(23-11-4-3-7-17(23)21-19)8-9-18(24)22-12-10-14-5-1-2-6-15(14)13-22/h1-9,11H,10,12-13H2/b9-8+
InChIKeyIILJROVPYCXZGC-CMDGGOBGSA-N
XLogP3.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.59
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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2349298
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 26865742
ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate
CID 102603303
(E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
CID 37131928
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 75618256
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one
CID 9181253
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044214
4-[4-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27330186
(2R)-1-[(Z)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 97450001
2-[4-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]thiomorpholin-3-yl]acetic acid
CID 91943274
3-(3-chlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 4657044
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735428

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one (CID 6212485) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one is O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCc2ccccc2C1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one?
The InChIKey is IILJROVPYCXZGC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-19-16(23-11-4-3-7-17(23)21-19)8-9-18(24)22-12-10-14-5-1-2-6-15(14)13-22/h1-9,11H,10,12-13H2/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one has a molecular weight of 337.81 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 6212485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).