4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde

C15H19N3O2 — CID 108988608

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C15H19N3O2/c19-12-16-8-10-17(11-9-16)15(20)18-7-3-5-13-4-1-2-6-14(13)18/h1-2,4,6,12H,3,5,7-11H2
InChIKeyHAIWCIAISNTRBN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.33
Rot. Bonds1

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde

4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde (PubChem CID 108988608) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
PubChem CID108988608
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C15H19N3O2/c19-12-16-8-10-17(11-9-16)15(20)18-7-3-5-13-4-1-2-6-14(13)18/h1-2,4,6,12H,3,5,7-11H2
InChIKeyHAIWCIAISNTRBN-UHFFFAOYSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 24852801
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde (CID 108988608) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is HAIWCIAISNTRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-12-16-8-10-17(11-9-16)15(20)18-7-3-5-13-4-1-2-6-14(13)18/h1-2,4,6,12H,3,5,7-11H2.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 108988608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).