N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide

C15H14FN5O4 — CID 46463478

IUPACN-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C15H14FN5O4/c16-8-1-4-11-10(5-8)15(25)21(7-17-11)6-12(22)19-20-14(24)13(23)18-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,18,23)(H,19,22)(H,20,24)
InChIKeyFDJLXHIVQOOBBE-UHFFFAOYSA-N
MW347.31 g/mol
LogP-1.04
Rot. Bonds3

About N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide (PubChem CID 46463478) has the molecular formula C15H14FN5O4 and a molecular weight of 347.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
PubChem CID46463478
Molecular FormulaC15H14FN5O4
Molecular Weight347.31 g/mol
Exact Mass347.10
IUPAC NameN-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C15H14FN5O4/c16-8-1-4-11-10(5-8)15(25)21(7-17-11)6-12(22)19-20-14(24)13(23)18-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,18,23)(H,19,22)(H,20,24)
InChIKeyFDJLXHIVQOOBBE-UHFFFAOYSA-N
XLogP-1.04
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 46400059
N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46582418
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide (CID 46463478) is N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide is O=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is FDJLXHIVQOOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O4/c16-8-1-4-11-10(5-8)15(25)21(7-17-11)6-12(22)19-20-14(24)13(23)18-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 347.31 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 46463478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).