2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide

C14H17N5O2 — CID 175942341

IUPAC2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCNC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C14H17N5O2/c15-18-13(20)9-5-6-16-12(7-9)19-8-17-11-4-2-1-3-10(11)14(19)21/h1-4,8-9,12,16H,5-7,15H2,(H,18,20)
InChIKeyHSDBKNHNVYOOGR-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.12
Rot. Bonds2

About 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide

2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide (PubChem CID 175942341) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide
PubChem CID175942341
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCNC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C14H17N5O2/c15-18-13(20)9-5-6-16-12(7-9)19-8-17-11-4-2-1-3-10(11)14(19)21/h1-4,8-9,12,16H,5-7,15H2,(H,18,20)
InChIKeyHSDBKNHNVYOOGR-UHFFFAOYSA-N
XLogP-0.12
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
3-cyclobutylquinazolin-4-one
CID 171781936
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one
CID 117264333
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
CID 43329401
3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
CID 43428646
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide (CID 175942341) is 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide is NNC(=O)C1CCNC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide?
The InChIKey is HSDBKNHNVYOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-18-13(20)9-5-6-16-12(7-9)19-8-17-11-4-2-1-3-10(11)14(19)21/h1-4,8-9,12,16H,5-7,15H2,(H,18,20).
What are the key properties of 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide?
2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 175942341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).