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

C24H26ClN5O — CID 44591482

IUPAC1-[(2-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(Cc4ccccc4Cl)CC3)cc1CC2
InChIInChI=1S/C24H26ClN5O/c1-16-27-28-23-9-6-18-14-20(7-8-22(18)30(16)23)26-24(31)17-10-12-29(13-11-17)15-19-4-2-3-5-21(19)25/h2-5,7-8,14,17H,6,9-13,15H2,1H3,(H,26,31)
InChIKeyCHIBOPNKRFPPIK-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.18
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (PubChem CID 44591482) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[(2-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-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
PubChem CID44591482
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name1-[(2-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(Cc4ccccc4Cl)CC3)cc1CC2
InChIInChI=1S/C24H26ClN5O/c1-16-27-28-23-9-6-18-14-20(7-8-22(18)30(16)23)26-24(31)17-10-12-29(13-11-17)15-19-4-2-3-5-21(19)25/h2-5,7-8,14,17H,6,9-13,15H2,1H3,(H,26,31)
InChIKeyCHIBOPNKRFPPIK-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-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-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (CID 44591482) is 1-[(2-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-[(2-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-[(2-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(Cc4ccccc4Cl)CC3)cc1CC2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
The InChIKey is CHIBOPNKRFPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-16-27-28-23-9-6-18-14-20(7-8-22(18)30(16)23)26-24(31)17-10-12-29(13-11-17)15-19-4-2-3-5-21(19)25/h2-5,7-8,14,17H,6,9-13,15H2,1H3,(H,26,31).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
1-[(2-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-[(2-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 44591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).