N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide

C26H26N4O — CID 167925388

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
SMILESCCc1cccc2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)nc12
InChIInChI=1S/C26H26N4O/c1-2-19-10-6-11-20-14-15-23(28-25(19)20)26(31)29-22-12-7-13-24-21(22)16-27-30(24)17-18-8-4-3-5-9-18/h3-6,8-11,14-16,22H,2,7,12-13,17H2,1H3,(H,29,31)
InChIKeyUPDIRSUBVSQGSZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.85
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide (PubChem CID 167925388) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
PubChem CID167925388
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
SMILESCCc1cccc2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)nc12
InChIInChI=1S/C26H26N4O/c1-2-19-10-6-11-20-14-15-23(28-25(19)20)26(31)29-22-12-7-13-24-21(22)16-27-30(24)17-18-8-4-3-5-9-18/h3-6,8-11,14-16,22H,2,7,12-13,17H2,1H3,(H,29,31)
InChIKeyUPDIRSUBVSQGSZ-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 167788077
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 167798452
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55853525

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide (CID 167925388) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide is CCc1cccc2ccc(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)nc12.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide?
The InChIKey is UPDIRSUBVSQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-2-19-10-6-11-20-14-15-23(28-25(19)20)26(31)29-22-12-7-13-24-21(22)16-27-30(24)17-18-8-4-3-5-9-18/h3-6,8-11,14-16,22H,2,7,12-13,17H2,1H3,(H,29,31).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide is sourced from PubChem (CID 167925388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).