1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C20H18N2O4 — CID 120528096

IUPAC1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C20H18N2O4/c23-18(22-10-7-20(26,8-11-22)19(24)25)16-12-13-4-1-2-5-14(13)15-6-3-9-21-17(15)16/h1-6,9,12,26H,7-8,10-11H2,(H,24,25)
InChIKeyHCCKENRIPBNSRE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.44
Rot. Bonds2

About 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528096) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528096
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C20H18N2O4/c23-18(22-10-7-20(26,8-11-22)19(24)25)16-12-13-4-1-2-5-14(13)15-6-3-9-21-17(15)16/h1-6,9,12,26H,7-8,10-11H2,(H,24,25)
InChIKeyHCCKENRIPBNSRE-UHFFFAOYSA-N
XLogP2.44
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
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]-(4-hydroxyphenyl)methanone
CID 167947336
4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
CID 120528257
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
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
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55754039
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825

Frequently Asked Questions

What is the IUPAC name of 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 120528096) is 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1cc2ccccc2c2cccnc12)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is HCCKENRIPBNSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(22-10-7-20(26,8-11-22)19(24)25)16-12-13-4-1-2-5-14(13)15-6-3-9-21-17(15)16/h1-6,9,12,26H,7-8,10-11H2,(H,24,25).
What are the key properties of 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).