azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid

C27H29N7O2 — CID 173008107

IUPACazane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)O)nnn45)CC3)cccc2n1.N
InChIInChI=1S/C27H26N6O2.H3N/c1-18-8-9-21-22(28-18)5-3-6-23(21)32-16-14-31(15-17-32)13-12-19-4-2-7-24-20(19)10-11-25-26(27(34)35)29-30-33(24)25;/h2-11H,12-17H2,1H3,(H,34,35);1H3
InChIKeyDXTSIKNLVSAWOD-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.96
Rot. Bonds5

About azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid

azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid (PubChem CID 173008107) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Nameazane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
PubChem CID173008107
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Nameazane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)O)nnn45)CC3)cccc2n1.N
InChIInChI=1S/C27H26N6O2.H3N/c1-18-8-9-21-22(28-18)5-3-6-23(21)32-16-14-31(15-17-32)13-12-19-4-2-7-24-20(19)10-11-25-26(27(34)35)29-30-33(24)25;/h2-11H,12-17H2,1H3,(H,34,35);1H3
InChIKeyDXTSIKNLVSAWOD-UHFFFAOYSA-N
XLogP3.96
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid with MolForge

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Related Compounds

azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
CID 66684568
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66682429
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline
CID 58064214
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
5-[4-[2-(5-bromo-2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444350
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-N-propan-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide;dihydrochloride
CID 46900781

Frequently Asked Questions

What is the IUPAC name of azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid?
The IUPAC name of azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid (CID 173008107) is azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid.
What is the SMILES notation for azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid?
The canonical SMILES for azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid is Cc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)O)nnn45)CC3)cccc2n1.N.
What is the InChIKey of azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid?
The InChIKey is DXTSIKNLVSAWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.H3N/c1-18-8-9-21-22(28-18)5-3-6-23(21)32-16-14-31(15-17-32)13-12-19-4-2-7-24-20(19)10-11-25-26(27(34)35)29-30-33(24)25;/h2-11H,12-17H2,1H3,(H,34,35);1H3.
What are the key properties of azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid?
azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid has a molecular weight of 483.58 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 173008107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).