2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile

C19H11ClN4O — CID 127034914

IUPAC2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile
SMILESN#CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C19H11ClN4O/c20-15-16-13(7-4-9-22-16)11-14-18(15)23-17(12-5-2-1-3-6-12)19(25)24(14)10-8-21/h1-7,9,11H,10H2
InChIKeyVRZAECBVMQSKHJ-UHFFFAOYSA-N
MW346.78 g/mol
LogP3.79
Rot. Bonds2

About 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile

2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile (PubChem CID 127034914) has the molecular formula C19H11ClN4O and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile
PubChem CID127034914
Molecular FormulaC19H11ClN4O
Molecular Weight346.78 g/mol
Exact Mass346.06
IUPAC Name2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile
SMILESN#CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C19H11ClN4O/c20-15-16-13(7-4-9-22-16)11-14-18(15)23-17(12-5-2-1-3-6-12)19(25)24(14)10-8-21/h1-7,9,11H,10H2
InChIKeyVRZAECBVMQSKHJ-UHFFFAOYSA-N
XLogP3.79
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
CID 127035059
5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline
CID 127035078
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone
CID 57399923
5-(8-chloroquinolin-6-yl)-6-phenyl-3-prop-2-ynylpyrazin-2-amine
CID 137431684

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile (CID 127034914) is 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile is N#CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21.
What is the InChIKey of 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile?
The InChIKey is VRZAECBVMQSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O/c20-15-16-13(7-4-9-22-16)11-14-18(15)23-17(12-5-2-1-3-6-12)19(25)24(14)10-8-21/h1-7,9,11H,10H2.
What are the key properties of 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile?
2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile has a molecular weight of 346.78 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile is sourced from PubChem (CID 127034914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).