N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H19N5O — CID 3903326

IUPACN-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H19N5O/c27-21(24-8-3-12-26-13-11-23-15-26)18-14-20(16-6-9-22-10-7-16)25-19-5-2-1-4-17(18)19/h1-2,4-7,9-11,13-15H,3,8,12H2,(H,24,27)
InChIKeyXPNQODNPTIJRHD-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.31
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3903326) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3903326
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H19N5O/c27-21(24-8-3-12-26-13-11-23-15-26)18-14-20(16-6-9-22-10-7-16)25-19-5-2-1-4-17(18)19/h1-2,4-7,9-11,13-15H,3,8,12H2,(H,24,27)
InChIKeyXPNQODNPTIJRHD-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 3903326) is N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is XPNQODNPTIJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(24-8-3-12-26-13-11-23-15-26)18-14-20(16-6-9-22-10-7-16)25-19-5-2-1-4-17(18)19/h1-2,4-7,9-11,13-15H,3,8,12H2,(H,24,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3903326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).