benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone

C20H20N2O — CID 71895825

IUPACbenzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C20H20N2O/c1-14-7-4-5-12-22(14)20(23)18-13-15-8-2-3-9-16(15)17-10-6-11-21-19(17)18/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3
InChIKeyUFLIKFWUSUCRHF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.40
Rot. Bonds1

About benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone

benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 71895825) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namebenzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID71895825
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Namebenzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C20H20N2O/c1-14-7-4-5-12-22(14)20(23)18-13-15-8-2-3-9-16(15)17-10-6-11-21-19(17)18/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3
InChIKeyUFLIKFWUSUCRHF-UHFFFAOYSA-N
XLogP4.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
[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

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone (CID 71895825) is benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc2ccccc2c2cccnc12.
What is the InChIKey of benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is UFLIKFWUSUCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-7-4-5-12-22(14)20(23)18-13-15-8-2-3-9-16(15)17-10-6-11-21-19(17)18/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3.
What are the key properties of benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone?
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 71895825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).