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

C24H22N6O2 — CID 151325855

IUPACN-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)c1
InChIInChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27)
InChIKeyOHKNHQPNHFCKKF-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.66
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 151325855) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID151325855
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)c1
InChIInChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27)
InChIKeyOHKNHQPNHFCKKF-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

Top1 inhibitor 1
CID 138377597
Topoisomerase I inhibitor 6
CID 153370123
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
7-methoxy-N-[(1-methylimidazol-4-yl)methyl]quinoline-3-carboxamide
CID 155533035
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 2931561
N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370113
N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370141
6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 155529673
5-[3-(4-phenoxypyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 68356791
5-[[4-[3-(Trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 78135306
7-methoxy-N-(1-methylimidazol-2-yl)quinoline-3-carboxamide
CID 155555025
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 118514961

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 151325855) is N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1cccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is OHKNHQPNHFCKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(3-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-(3-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 151325855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).