4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

C26H23ClN4O2 — CID 55970481

IUPAC4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1Cl
InChIInChI=1S/C26H23ClN4O2/c1-17-8-9-19(16-23(17)27)29-26(33)31-13-11-30(12-14-31)25(32)22-15-18-5-2-3-6-20(18)21-7-4-10-28-24(21)22/h2-10,15-16H,11-14H2,1H3,(H,29,33)
InChIKeyIEKNEKLWNWONLU-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.34
Rot. Bonds2

About 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 55970481) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
PubChem CID55970481
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1Cl
InChIInChI=1S/C26H23ClN4O2/c1-17-8-9-19(16-23(17)27)29-26(33)31-13-11-30(12-14-31)25(32)22-15-18-5-2-3-6-20(18)21-7-4-10-28-24(21)22/h2-10,15-16H,11-14H2,1H3,(H,29,33)
InChIKeyIEKNEKLWNWONLU-UHFFFAOYSA-N
XLogP5.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 60557510
N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide
CID 55969588
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
4-(3-bromoquinoline-6-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 166336613
N-(3-chloro-4-methylphenyl)-4-(3-ethoxypyrazin-2-yl)piperazine-1-carboxamide
CID 166227505
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158

Frequently Asked Questions

What is the IUPAC name of 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (CID 55970481) is 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1Cl.
What is the InChIKey of 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is IEKNEKLWNWONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c1-17-8-9-19(16-23(17)27)29-26(33)31-13-11-30(12-14-31)25(32)22-15-18-5-2-3-6-20(18)21-7-4-10-28-24(21)22/h2-10,15-16H,11-14H2,1H3,(H,29,33).
What are the key properties of 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).