2-chloroquinoline-4-carboxamide

C10H7ClN2O — CID 686022

IUPAC2-chloroquinoline-4-carboxamide
SMILESNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C10H7ClN2O/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,(H2,12,14)
InChIKeyIZZFJWCMEHEJOJ-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.99
Rot. Bonds1

About 2-chloroquinoline-4-carboxamide

2-chloroquinoline-4-carboxamide (PubChem CID 686022) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-chloroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloroquinoline-4-carboxamide
PubChem CID686022
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-chloroquinoline-4-carboxamide
SMILESNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C10H7ClN2O/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,(H2,12,14)
InChIKeyIZZFJWCMEHEJOJ-UHFFFAOYSA-N
XLogP1.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroquinoline-4-carboxamide?
The IUPAC name of 2-chloroquinoline-4-carboxamide (CID 686022) is 2-chloroquinoline-4-carboxamide.
What is the SMILES notation for 2-chloroquinoline-4-carboxamide?
The canonical SMILES for 2-chloroquinoline-4-carboxamide is NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloroquinoline-4-carboxamide?
The InChIKey is IZZFJWCMEHEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,(H2,12,14).
What are the key properties of 2-chloroquinoline-4-carboxamide?
2-chloroquinoline-4-carboxamide has a molecular weight of 206.63 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinoline-4-carboxamide is sourced from PubChem (CID 686022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).