1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide

C24H26ClN5O — CID 44591502

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
SMILESCc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc1CC2
InChIInChI=1S/C24H26ClN5O/c1-16-27-28-23-9-4-19-14-21(7-8-22(19)30(16)23)26-24(31)18-10-12-29(13-11-18)15-17-2-5-20(25)6-3-17/h2-3,5-8,14,18H,4,9-13,15H2,1H3,(H,26,31)
InChIKeyDXWKXXMAPKKMQV-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.18
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (PubChem CID 44591502) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
PubChem CID44591502
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
SMILESCc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc1CC2
InChIInChI=1S/C24H26ClN5O/c1-16-27-28-23-9-4-19-14-21(7-8-22(19)30(16)23)26-24(31)18-10-12-29(13-11-18)15-17-2-5-20(25)6-3-17/h2-3,5-8,14,18H,4,9-13,15H2,1H3,(H,26,31)
InChIKeyDXWKXXMAPKKMQV-UHFFFAOYSA-N
XLogP4.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
CID 121345817
N-(3-chlorophenyl)-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 16010757
N-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]acetamide
CID 148648403
N-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]-1-methylpiperidine-4-carboxamide
CID 149201098
US9663523, Example 16
CID 73774824
US9663523, Example 17
CID 73774825
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 16008281
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 16008304
N-[(4-Chlorophenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-A]quinazolin-1-YL]propanamide
CID 16010775
3-{4-[(4-Chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-A]quinazolin-1-YL}-N-[2-(diethylamino)ethyl]propanamide
CID 20880964
1-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
CID 44591482
1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
CID 44591596

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (CID 44591502) is 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide is Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc1CC2.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
The InChIKey is DXWKXXMAPKKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-16-27-28-23-9-4-19-14-21(7-8-22(19)30(16)23)26-24(31)18-10-12-29(13-11-18)15-17-2-5-20(25)6-3-17/h2-3,5-8,14,18H,4,9-13,15H2,1H3,(H,26,31).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 44591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).