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

C24H22N6O — CID 153370113

IUPACN-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C24H22N6O/c1-17-3-5-18(6-4-17)19-7-8-22-20(13-19)23(21(14-27-22)24-29-28-16-31-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)
InChIKeyLEZAYIDJYAUMRT-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.96
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 153370113) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID153370113
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C24H22N6O/c1-17-3-5-18(6-4-17)19-7-8-22-20(13-19)23(21(14-27-22)24-29-28-16-31-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)
InChIKeyLEZAYIDJYAUMRT-UHFFFAOYSA-N
XLogP4.96
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
Top1 inhibitor 1
CID 138377597
Topoisomerase I inhibitor 6
CID 153370123
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904
5-[3-[6-(2-methylpiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555076
7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
CID 136593418
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
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-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370141
5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554558

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 153370113) is N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is Cc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is LEZAYIDJYAUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17-3-5-18(6-4-17)19-7-8-22-20(13-19)23(21(14-27-22)24-29-28-16-31-24)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-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 153370113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).