benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone

C20H20N2O2 — CID 110893934

IUPACbenzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCCC(CO)C1
InChIInChI=1S/C20H20N2O2/c23-13-14-5-4-10-22(12-14)20(24)18-11-15-6-1-2-7-16(15)17-8-3-9-21-19(17)18/h1-3,6-9,11,14,23H,4-5,10,12-13H2
InChIKeyDZMKLZDMUYYCIL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.23
Rot. Bonds2

About benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone

benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110893934) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebenzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110893934
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namebenzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCCC(CO)C1
InChIInChI=1S/C20H20N2O2/c23-13-14-5-4-10-22(12-14)20(24)18-11-15-6-1-2-7-16(15)17-8-3-9-21-19(17)18/h1-3,6-9,11,14,23H,4-5,10,12-13H2
InChIKeyDZMKLZDMUYYCIL-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.23
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

[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110893934) is benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2c2cccnc12)N1CCCC(CO)C1.
What is the InChIKey of benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DZMKLZDMUYYCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-13-14-5-4-10-22(12-14)20(24)18-11-15-6-1-2-7-16(15)17-8-3-9-21-19(17)18/h1-3,6-9,11,14,23H,4-5,10,12-13H2.
What are the key properties of benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110893934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).