N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide

C18H12ClN5O — CID 165415026

IUPACN-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1cn(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C18H12ClN5O/c19-16-9-13(7-8-20-16)22-18(25)15-10-24(11-21-15)17-6-5-12-3-1-2-4-14(12)23-17/h1-11H,(H,20,22,25)
InChIKeyYGWXRXJULKVONU-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.72
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide

N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide (PubChem CID 165415026) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide
PubChem CID165415026
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC NameN-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1cn(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C18H12ClN5O/c19-16-9-13(7-8-20-16)22-18(25)15-10-24(11-21-15)17-6-5-12-3-1-2-4-14(12)23-17/h1-11H,(H,20,22,25)
InChIKeyYGWXRXJULKVONU-UHFFFAOYSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide (CID 165415026) is N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide is O=C(Nc1ccnc(Cl)c1)c1cn(-c2ccc3ccccc3n2)cn1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide?
The InChIKey is YGWXRXJULKVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-16-9-13(7-8-20-16)22-18(25)15-10-24(11-21-15)17-6-5-12-3-1-2-4-14(12)23-17/h1-11H,(H,20,22,25).
What are the key properties of N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide?
N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-1-quinolin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 165415026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).