2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide

C24H28N4O2 — CID 55762083

IUPAC2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C24H28N4O2/c1-3-17(2)26-22(29)16-27-11-13-28(14-12-27)24(30)21-15-18-7-4-5-8-19(18)20-9-6-10-25-23(20)21/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,29)
InChIKeyDUHFETGRGAEEPB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide

2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 55762083) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID55762083
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C24H28N4O2/c1-3-17(2)26-22(29)16-27-11-13-28(14-12-27)24(30)21-15-18-7-4-5-8-19(18)20-9-6-10-25-23(20)21/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,29)
InChIKeyDUHFETGRGAEEPB-UHFFFAOYSA-N
XLogP3.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970481
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55754039
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (CID 55762083) is 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1.
What is the InChIKey of 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is DUHFETGRGAEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-17(2)26-22(29)16-27-11-13-28(14-12-27)24(30)21-15-18-7-4-5-8-19(18)20-9-6-10-25-23(20)21/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 55762083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).