N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C20H17N5O — CID 72933899

IUPACN-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H17N5O/c26-20(23-10-12-25-11-9-22-14-25)17-13-19(15-5-7-21-8-6-15)24-18-4-2-1-3-16(17)18/h1-9,11,13-14H,10,12H2,(H,23,26)
InChIKeyJGSWLSIPNSQNFS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.92
Rot. Bonds5

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

N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 72933899) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID72933899
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H17N5O/c26-20(23-10-12-25-11-9-22-14-25)17-13-19(15-5-7-21-8-6-15)24-18-4-2-1-3-16(17)18/h1-9,11,13-14H,10,12H2,(H,23,26)
InChIKeyJGSWLSIPNSQNFS-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 17372668
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 30471048

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 72933899) is N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JGSWLSIPNSQNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(23-10-12-25-11-9-22-14-25)17-13-19(15-5-7-21-8-6-15)24-18-4-2-1-3-16(17)18/h1-9,11,13-14H,10,12H2,(H,23,26).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 72933899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).