N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

C22H18N6O4 — CID 55685382

IUPACN'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCn1c(=O)ccn(CC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1=O
InChIInChI=1S/C22H18N6O4/c1-27-20(30)9-11-28(22(27)32)13-19(29)25-26-21(31)15-12-18(17-8-4-5-10-23-17)24-16-7-3-2-6-14(15)16/h2-12H,13H2,1H3,(H,25,29)(H,26,31)
InChIKeyYQEPJWPOZNDLNA-UHFFFAOYSA-N
MW430.42 g/mol
LogP0.62
Rot. Bonds4

About N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 55685382) has the molecular formula C22H18N6O4 and a molecular weight of 430.42 g/mol. Its IUPAC name is N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID55685382
Molecular FormulaC22H18N6O4
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC NameN'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCn1c(=O)ccn(CC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1=O
InChIInChI=1S/C22H18N6O4/c1-27-20(30)9-11-28(22(27)32)13-19(29)25-26-21(31)15-12-18(17-8-4-5-10-23-17)24-16-7-3-2-6-14(15)16/h2-12H,13H2,1H3,(H,25,29)(H,26,31)
InChIKeyYQEPJWPOZNDLNA-UHFFFAOYSA-N
XLogP0.62
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
CID 2374294
N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 55685382) is N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is Cn1c(=O)ccn(CC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1=O.
What is the InChIKey of N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is YQEPJWPOZNDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O4/c1-27-20(30)9-11-28(22(27)32)13-19(29)25-26-21(31)15-12-18(17-8-4-5-10-23-17)24-16-7-3-2-6-14(15)16/h2-12H,13H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 430.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 55685382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).