1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one

C17H11ClN2O — CID 84906464

IUPAC1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H
InChIKeyFDOSHSJLIFRVJR-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one

1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 84906464) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID84906464
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H
InChIKeyFDOSHSJLIFRVJR-UHFFFAOYSA-N
XLogP4.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.18
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)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
N,N-dimethyl-2-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenoxy]acetamide
CID 9033770
2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2127821
(E)-1-[4-(4-hydroxyiminopiperidine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11531426
(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9028030
(E)-1-[4-[3-(dimethylamino)pyrazole-1-carbonyl]phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11560333
(E)-1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11662362
1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 67013230
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
CID 67014900

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one (CID 84906464) is 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one is O=C(C=Cc1cnc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is FDOSHSJLIFRVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H.
What are the key properties of 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 294.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 84906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).