2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid

C24H27N7O3 — CID 177144440

IUPAC2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(Cc5cn(CC(=O)O)nn5)CC4)c3)ccc21
InChIInChI=1S/C24H27N7O3/c1-28-22-4-2-17(10-18(22)3-5-23(28)32)19-11-21(13-25-12-19)30-8-6-29(7-9-30)14-20-15-31(27-26-20)16-24(33)34/h2,4,10-13,15H,3,5-9,14,16H2,1H3,(H,33,34)
InChIKeyQWEGYIHDBOSKEL-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.66
Rot. Bonds6

About 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid

2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid (PubChem CID 177144440) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid
PubChem CID177144440
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(Cc5cn(CC(=O)O)nn5)CC4)c3)ccc21
InChIInChI=1S/C24H27N7O3/c1-28-22-4-2-17(10-18(22)3-5-23(28)32)19-11-21(13-25-12-19)30-8-6-29(7-9-30)14-20-15-31(27-26-20)16-24(33)34/h2,4,10-13,15H,3,5-9,14,16H2,1H3,(H,33,34)
InChIKeyQWEGYIHDBOSKEL-UHFFFAOYSA-N
XLogP1.66
TPSA107.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 177144415
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-[5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679152
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
2-[4-(2,5-dihydropyrrol-1-ylmethyl)triazol-1-yl]acetic acid
CID 115458808
N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 177144444
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 82306077
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
ethyl 2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate
CID 177144475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid (CID 177144440) is 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid is CN1C(=O)CCc2cc(-c3cncc(N4CCN(Cc5cn(CC(=O)O)nn5)CC4)c3)ccc21.
What is the InChIKey of 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid?
The InChIKey is QWEGYIHDBOSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-28-22-4-2-17(10-18(22)3-5-23(28)32)19-11-21(13-25-12-19)30-8-6-29(7-9-30)14-20-15-31(27-26-20)16-24(33)34/h2,4,10-13,15H,3,5-9,14,16H2,1H3,(H,33,34).
What are the key properties of 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid?
2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid has a molecular weight of 461.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 177144440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).