4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde

C14H15N3O2 — CID 13236362

IUPAC4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C14H15N3O2/c18-10-16-5-7-17(8-6-16)12-2-3-13-11(9-12)1-4-14(19)15-13/h1-4,9-10H,5-8H2,(H,15,19)
InChIKeyYHRMIIPHTYXRRY-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.81
Rot. Bonds2

About 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde

4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde (PubChem CID 13236362) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde
PubChem CID13236362
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C14H15N3O2/c18-10-16-5-7-17(8-6-16)12-2-3-13-11(9-12)1-4-14(19)15-13/h1-4,9-10H,5-8H2,(H,15,19)
InChIKeyYHRMIIPHTYXRRY-UHFFFAOYSA-N
XLogP0.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1H-quinolin-2-one
CID 13317106
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
5-piperidin-1-yl-1H-indole-2-carbaldehyde
CID 105485642
CID 172719311
CID 172719311
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
1-anthracen-2-ylaziridine
CID 140967358
hydrazine;1H-quinolin-2-one
CID 157180038
4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
CID 134499697
4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
CID 142695592
1-(1H-indol-5-yl)piperidin-4-one
CID 83972067
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde (CID 13236362) is 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde?
The InChIKey is YHRMIIPHTYXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-10-16-5-7-17(8-6-16)12-2-3-13-11(9-12)1-4-14(19)15-13/h1-4,9-10H,5-8H2,(H,15,19).
What are the key properties of 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde?
4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 13236362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).