[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone

C25H21N3O3 — CID 167947336

IUPAC[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C25H21N3O3/c29-19-9-7-17(8-10-19)24(30)27-12-14-28(15-13-27)25(31)22-16-18-4-1-2-5-20(18)21-6-3-11-26-23(21)22/h1-11,16,29H,12-15H2
InChIKeyWRVSFJDOLLWHPX-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.69
Rot. Bonds2

About [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone

[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 167947336) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID167947336
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C25H21N3O3/c29-19-9-7-17(8-10-19)24(30)27-12-14-28(15-13-27)25(31)22-16-18-4-1-2-5-20(18)21-6-3-11-26-23(21)22/h1-11,16,29H,12-15H2
InChIKeyWRVSFJDOLLWHPX-UHFFFAOYSA-N
XLogP3.69
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.69
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

[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
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
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
4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970481
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
CID 86941241
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720

Frequently Asked Questions

What is the IUPAC name of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone (CID 167947336) is [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1.
What is the InChIKey of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is WRVSFJDOLLWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-19-9-7-17(8-10-19)24(30)27-12-14-28(15-13-27)25(31)22-16-18-4-1-2-5-20(18)21-6-3-11-26-23(21)22/h1-11,16,29H,12-15H2.
What are the key properties of [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 411.46 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 167947336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).