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

C19H12ClN3O — CID 167936549

IUPAC(E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cncc2ccccc12)c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H12ClN3O/c20-19-18(23-10-4-3-7-17(23)22-19)16(24)9-8-14-12-21-11-13-5-1-2-6-15(13)14/h1-12H/b9-8+
InChIKeyOETSRVGVLDVVEY-CMDGGOBGSA-N
MW333.78 g/mol
LogP4.43
Rot. Bonds3

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

(E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one (PubChem CID 167936549) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one
PubChem CID167936549
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name(E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cncc2ccccc12)c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H12ClN3O/c20-19-18(23-10-4-3-7-17(23)22-19)16(24)9-8-14-12-21-11-13-5-1-2-6-15(13)14/h1-12H/b9-8+
InChIKeyOETSRVGVLDVVEY-CMDGGOBGSA-N
XLogP4.43
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.43
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-(2-hydroxy-4-methylphenyl)-3-isoquinolin-4-ylprop-2-en-1-one
CID 166368473
methyl (E)-3-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
CID 84818363
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
hydron;isoquinoline-4-carbaldehyde
CID 174467251
1-[(E)-3-isoquinolin-4-ylprop-2-enoyl]-3,4-dihydro-2H-azepin-7-one
CID 138668904
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
CID 99781385
2-chloro-3-(3-chloroprop-1-enyl)imidazo[1,2-a]pyridine
CID 79334490
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-isoquinolin-4-ylprop-2-en-1-one
CID 126802171
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78895322
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one (CID 167936549) is (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one is O=C(/C=C/c1cncc2ccccc12)c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one?
The InChIKey is OETSRVGVLDVVEY-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-19-18(23-10-4-3-7-17(23)22-19)16(24)9-8-14-12-21-11-13-5-1-2-6-15(13)14/h1-12H/b9-8+.
What are the key properties of (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one?
(E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one has a molecular weight of 333.78 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-3-isoquinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 167936549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).