N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide

C22H21N5O — CID 17373735

IUPACN-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NCCCn3ccnc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H21N5O/c1-16-5-2-7-18-19(22(28)25-9-4-11-27-12-10-24-15-27)13-20(26-21(16)18)17-6-3-8-23-14-17/h2-3,5-8,10,12-15H,4,9,11H2,1H3,(H,25,28)
InChIKeyGBEMBYYSDRSXGZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide

N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 17373735) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID17373735
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NCCCn3ccnc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H21N5O/c1-16-5-2-7-18-19(22(28)25-9-4-11-27-12-10-24-15-27)13-20(26-21(16)18)17-6-3-8-23-14-17/h2-3,5-8,10,12-15H,4,9,11H2,1H3,(H,25,28)
InChIKeyGBEMBYYSDRSXGZ-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.62
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)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 17373735) is N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide is Cc1cccc2c(C(=O)NCCCn3ccnc3)cc(-c3cccnc3)nc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is GBEMBYYSDRSXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-5-2-7-18-19(22(28)25-9-4-11-27-12-10-24-15-27)13-20(26-21(16)18)17-6-3-8-23-14-17/h2-3,5-8,10,12-15H,4,9,11H2,1H3,(H,25,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.62, 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)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 17373735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).