4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid

C16H18N2O5 — CID 119251146

IUPAC4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C16H18N2O5/c19-13-9-11(10-3-1-2-4-12(10)17-13)14(20)18-7-5-16(23,6-8-18)15(21)22/h1-4,11,23H,5-9H2,(H,17,19)(H,21,22)
InChIKeyDDZOITQHCHJAIC-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.55
Rot. Bonds2

About 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119251146) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID119251146
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C16H18N2O5/c19-13-9-11(10-3-1-2-4-12(10)17-13)14(20)18-7-5-16(23,6-8-18)15(21)22/h1-4,11,23H,5-9H2,(H,17,19)(H,21,22)
InChIKeyDDZOITQHCHJAIC-UHFFFAOYSA-N
XLogP0.55
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Oxalic acid;1-[2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 168270182
Oxalic acid;1-[4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
CID 168292406
Carbostyril, 3,4-dihydro-1-(2-piperidinopropyl)-, oxalate
CID 57526
Carbostyril, 3,4-dihydro-1-(2-(methylphenethylamino)propyl)-, oxalate
CID 58227
6-({[4-(3,4-dihydro-1(2H)-quinolinylcarbonyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 2983438
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 4617016
4-[1-(Cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-4-oxobutanoic acid
CID 134788984
4-{[4-(3,4-dihydro-1(2H)-quinolinylcarbonyl)phenyl]amino}-4-oxobutanoic acid
CID 2984250
Rac-4-[[4-(3,5-difluoro-benzyl)-pyrrolidin-3-ylmethyl]-(2-oxo-1,2,3,4-tetrahydro-quinoline-4-carbonyl)-amino]-butyric acid
CID 23653280
1-Boc-2'-oxo-2',4'-dihydro-1'H-spiro[piperidine-4,3'-quinoline]
CID 56965666
5-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-(3-phenylpropyl)amino]pentanoic acid
CID 131988536
5-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-(3-phenylpropyl)amino]pentanoic acid
CID 131988576

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid (CID 119251146) is 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid is O=C1CC(C(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc2N1.
What is the InChIKey of 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is DDZOITQHCHJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-13-9-11(10-3-1-2-4-12(10)17-13)14(20)18-7-5-16(23,6-8-18)15(21)22/h1-4,11,23H,5-9H2,(H,17,19)(H,21,22).
What are the key properties of 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).