N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine

C24H22N6O2 — CID 138377597

IUPACN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)
InChIKeyFXLATWFKCKZBKI-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.66
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine

N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 138377597) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID138377597
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)
InChIKeyFXLATWFKCKZBKI-UHFFFAOYSA-N
XLogP4.66
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
Topoisomerase I inhibitor 6
CID 153370123
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551965
US10457677, Example 139
CID 134325509
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzamide
CID 118706746
7-methoxy-N-[(1-methylimidazol-4-yl)methyl]quinoline-3-carboxamide
CID 155533035
N-(1H-imidazol-2-yl)-7-methoxyquinoline-3-carboxamide
CID 155553456
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551966
N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 151325855
N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370113

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 138377597) is N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is FXLATWFKCKZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 426.48 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 138377597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).