5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide

C23H23N5O2 — CID 56585569

IUPAC5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCCCOc3cccc4cccnc34)c2C)c1
InChIInChI=1S/C23H23N5O2/c1-16-7-3-10-19(15-16)28-17(2)21(26-27-28)23(29)25-13-6-14-30-20-11-4-8-18-9-5-12-24-22(18)20/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,25,29)
InChIKeyDTRDIBVTRMPCBR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.63
Rot. Bonds7

About 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide (PubChem CID 56585569) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
PubChem CID56585569
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCCCOc3cccc4cccnc34)c2C)c1
InChIInChI=1S/C23H23N5O2/c1-16-7-3-10-19(15-16)28-17(2)21(26-27-28)23(29)25-13-6-14-30-20-11-4-8-18-9-5-12-24-22(18)20/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,25,29)
InChIKeyDTRDIBVTRMPCBR-UHFFFAOYSA-N
XLogP3.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
CID 46858042
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56585733
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
CID 56585571
6-methyl-1-propan-2-yl-N-(3-quinolin-8-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56585762
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 56573213
5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
CID 60520886

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide (CID 56585569) is 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCCCOc3cccc4cccnc34)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide?
The InChIKey is DTRDIBVTRMPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-7-3-10-19(15-16)28-17(2)21(26-27-28)23(29)25-13-6-14-30-20-11-4-8-18-9-5-12-24-22(18)20/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,25,29).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 56585569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).