2-[(E)-2-chloroethenyl]-4-nitroquinoline

C11H7ClN2O2 — CID 19035003

IUPAC2-[(E)-2-chloroethenyl]-4-nitroquinoline
SMILESO=[N+]([O-])c1cc(/C=C/Cl)nc2ccccc12
InChIInChI=1S/C11H7ClN2O2/c12-6-5-8-7-11(14(15)16)9-3-1-2-4-10(9)13-8/h1-7H/b6-5+
InChIKeyCDZRQSUPCUPLQC-AATRIKPKSA-N
MW234.64 g/mol
LogP3.35
Rot. Bonds2

About 2-[(E)-2-chloroethenyl]-4-nitroquinoline

2-[(E)-2-chloroethenyl]-4-nitroquinoline (PubChem CID 19035003) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-[(E)-2-chloroethenyl]-4-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-chloroethenyl]-4-nitroquinoline
PubChem CID19035003
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-[(E)-2-chloroethenyl]-4-nitroquinoline
SMILESO=[N+]([O-])c1cc(/C=C/Cl)nc2ccccc12
InChIInChI=1S/C11H7ClN2O2/c12-6-5-8-7-11(14(15)16)9-3-1-2-4-10(9)13-8/h1-7H/b6-5+
InChIKeyCDZRQSUPCUPLQC-AATRIKPKSA-N
XLogP3.35
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroethenyl]-4-nitroquinoline?
The IUPAC name of 2-[(E)-2-chloroethenyl]-4-nitroquinoline (CID 19035003) is 2-[(E)-2-chloroethenyl]-4-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-chloroethenyl]-4-nitroquinoline?
The canonical SMILES for 2-[(E)-2-chloroethenyl]-4-nitroquinoline is O=[N+]([O-])c1cc(/C=C/Cl)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-chloroethenyl]-4-nitroquinoline?
The InChIKey is CDZRQSUPCUPLQC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-6-5-8-7-11(14(15)16)9-3-1-2-4-10(9)13-8/h1-7H/b6-5+.
What are the key properties of 2-[(E)-2-chloroethenyl]-4-nitroquinoline?
2-[(E)-2-chloroethenyl]-4-nitroquinoline has a molecular weight of 234.64 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroethenyl]-4-nitroquinoline is sourced from PubChem (CID 19035003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).