2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline

C18H12ClN3 — CID 166438140

IUPAC2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline
SMILESClc1nc2ccccc2c(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H12ClN3/c19-17-16(18-20-10-11-21-18)15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)22-17/h1-11H,(H,20,21)
InChIKeyWYANSKKCHJDWAK-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.95
Rot. Bonds2

About 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline

2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline (PubChem CID 166438140) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline.

Molecular Properties

Compound Name2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline
PubChem CID166438140
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline
SMILESClc1nc2ccccc2c(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H12ClN3/c19-17-16(18-20-10-11-21-18)15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)22-17/h1-11H,(H,20,21)
InChIKeyWYANSKKCHJDWAK-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.95
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-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The IUPAC name of 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline (CID 166438140) is 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline.
What is the SMILES notation for 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The canonical SMILES for 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline is Clc1nc2ccccc2c(-c2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The InChIKey is WYANSKKCHJDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-17-16(18-20-10-11-21-18)15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)22-17/h1-11H,(H,20,21).
What are the key properties of 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline has a molecular weight of 305.77 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline is sourced from PubChem (CID 166438140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).