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

C24H25Cl2N5O — CID 44591596

IUPAC1-[(2,4-dichlorophenyl)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)cc4Cl)CC3)cc1CC2
InChIInChI=1S/C24H25Cl2N5O/c1-15-28-29-23-7-3-17-12-20(5-6-22(17)31(15)23)27-24(32)16-8-10-30(11-9-16)14-18-2-4-19(25)13-21(18)26/h2,4-6,12-13,16H,3,7-11,14H2,1H3,(H,27,32)
InChIKeyDSMCSCYLHZAVHD-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.83
Rot. Bonds4

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

1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (PubChem CID 44591596) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
PubChem CID44591596
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name1-[(2,4-dichlorophenyl)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)cc4Cl)CC3)cc1CC2
InChIInChI=1S/C24H25Cl2N5O/c1-15-28-29-23-7-3-17-12-20(5-6-22(17)31(15)23)27-24(32)16-8-10-30(11-9-16)14-18-2-4-19(25)13-21(18)26/h2,4-6,12-13,16H,3,7-11,14H2,1H3,(H,27,32)
InChIKeyDSMCSCYLHZAVHD-UHFFFAOYSA-N
XLogP4.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide (CID 44591596) is 1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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)cc4Cl)CC3)cc1CC2.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
The InChIKey is DSMCSCYLHZAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c1-15-28-29-23-7-3-17-12-20(5-6-22(17)31(15)23)27-24(32)16-8-10-30(11-9-16)14-18-2-4-19(25)13-21(18)26/h2,4-6,12-13,16H,3,7-11,14H2,1H3,(H,27,32).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)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 470.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)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 44591596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).