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

C25H24N6O2 — CID 153370141

IUPACN-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1C
InChIInChI=1S/C25H24N6O2/c1-17-12-18(5-7-23(17)32-2)19-4-6-22-20(13-19)24(21(14-28-22)25-30-29-16-33-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)
InChIKeyBMUWIAGEPMSJBS-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.97
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 153370141) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID153370141
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1C
InChIInChI=1S/C25H24N6O2/c1-17-12-18(5-7-23(17)32-2)19-4-6-22-20(13-19)24(21(14-28-22)25-30-29-16-33-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)
InChIKeyBMUWIAGEPMSJBS-UHFFFAOYSA-N
XLogP4.97
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

US11866405, Example 22
CID 163396268
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
Top1 inhibitor 1
CID 138377597
Topoisomerase I inhibitor 6
CID 153370123
US10457677, Example 139
CID 134325509
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)-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
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
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 71247446

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 153370141) is N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is BMUWIAGEPMSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-12-18(5-7-23(17)32-2)19-4-6-22-20(13-19)24(21(14-28-22)25-30-29-16-33-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 440.51 g/mol, XLogP of 4.97, 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-methoxy-3-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 153370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).