2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide

C33H50N4O — CID 19512342

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C33H50N4O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-33(38)29-25-32(30-26-35-37(3)27(30)2)36-31-23-20-19-22-28(29)31/h19-20,22-23,25-26H,4-18,21,24H2,1-3H3,(H,34,38)
InChIKeyGFAZQHLXDCEEPZ-UHFFFAOYSA-N
MW518.79 g/mol
LogP8.94
Rot. Bonds19

About 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide (PubChem CID 19512342) has the molecular formula C33H50N4O and a molecular weight of 518.79 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
PubChem CID19512342
Molecular FormulaC33H50N4O
Molecular Weight518.79 g/mol
Exact Mass518.40
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C33H50N4O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-33(38)29-25-32(30-26-35-37(3)27(30)2)36-31-23-20-19-22-28(29)31/h19-20,22-23,25-26H,4-18,21,24H2,1-3H3,(H,34,38)
InChIKeyGFAZQHLXDCEEPZ-UHFFFAOYSA-N
XLogP8.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
CID 19512593
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512474
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide (CID 19512342) is 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide?
The InChIKey is GFAZQHLXDCEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N4O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-33(38)29-25-32(30-26-35-37(3)27(30)2)36-31-23-20-19-22-28(29)31/h19-20,22-23,25-26H,4-18,21,24H2,1-3H3,(H,34,38).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide has a molecular weight of 518.79 g/mol, XLogP of 8.94, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide is sourced from PubChem (CID 19512342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).