N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

C20H19N5O3 — CID 9076396

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O3/c26-17(12-25-11-5-7-13-6-1-4-10-16(13)25)21-24-20(28)18-14-8-2-3-9-15(14)19(27)23-22-18/h1-4,6,8-10H,5,7,11-12H2,(H,21,26)(H,23,27)(H,24,28)
InChIKeyJXVFMYPTAAGQAM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.14
Rot. Bonds3

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 9076396) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID9076396
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O3/c26-17(12-25-11-5-7-13-6-1-4-10-16(13)25)21-24-20(28)18-14-8-2-3-9-15(14)19(27)23-22-18/h1-4,6,8-10H,5,7,11-12H2,(H,21,26)(H,23,27)(H,24,28)
InChIKeyJXVFMYPTAAGQAM-UHFFFAOYSA-N
XLogP1.14
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
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CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide
CID 24514501
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide
CID 9272269

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (CID 9076396) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is JXVFMYPTAAGQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-17(12-25-11-5-7-13-6-1-4-10-16(13)25)21-24-20(28)18-14-8-2-3-9-15(14)19(27)23-22-18/h1-4,6,8-10H,5,7,11-12H2,(H,21,26)(H,23,27)(H,24,28).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 9076396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).