N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide

C20H23N7O2 — CID 9272311

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H23N7O2/c1-13-16(14(2)27-20(23-13)21-12-22-27)10-18(28)24-25-19(29)11-26-9-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPRZGSVDWTPOZBZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.88
Rot. Bonds4

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide (PubChem CID 9272311) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide
PubChem CID9272311
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H23N7O2/c1-13-16(14(2)27-20(23-13)21-12-22-27)10-18(28)24-25-19(29)11-26-9-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPRZGSVDWTPOZBZ-UHFFFAOYSA-N
XLogP0.88
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9078398
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
CID 9033453
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-(2,4-dichlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]acetohydrazide
CID 7923511
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070384
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide (CID 9272311) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide is Cc1nc2ncnn2c(C)c1CC(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide?
The InChIKey is PRZGSVDWTPOZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-16(14(2)27-20(23-13)21-12-22-27)10-18(28)24-25-19(29)11-26-9-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide has a molecular weight of 393.45 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide is sourced from PubChem (CID 9272311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).