3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid

C17H19N3O5 — CID 126573613

IUPAC3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1cc(OC2CCCN(C(=O)O)C2)c2cc(O)c(C(N)=O)cc2n1
InChIInChI=1S/C17H19N3O5/c1-9-5-15(25-10-3-2-4-20(8-10)17(23)24)11-7-14(21)12(16(18)22)6-13(11)19-9/h5-7,10,21H,2-4,8H2,1H3,(H2,18,22)(H,23,24)
InChIKeyBVVDCARFZAQBDQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.87
Rot. Bonds3

About 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid

3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 126573613) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID126573613
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1cc(OC2CCCN(C(=O)O)C2)c2cc(O)c(C(N)=O)cc2n1
InChIInChI=1S/C17H19N3O5/c1-9-5-15(25-10-3-2-4-20(8-10)17(23)24)11-7-14(21)12(16(18)22)6-13(11)19-9/h5-7,10,21H,2-4,8H2,1H3,(H2,18,22)(H,23,24)
InChIKeyBVVDCARFZAQBDQ-UHFFFAOYSA-N
XLogP1.87
TPSA125.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-hydroxy-4-methylphenyl)phthalazin-1-yl]oxypiperidine-1-carboxylic acid
CID 175387948
3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
CID 122512313
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid
CID 122512292
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl] acetate
CID 122267162
3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid
CID 126573705
4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
CID 126573701
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
CID 67143904
4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
CID 81053389

Frequently Asked Questions

What is the IUPAC name of 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid (CID 126573613) is 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid is Cc1cc(OC2CCCN(C(=O)O)C2)c2cc(O)c(C(N)=O)cc2n1.
What is the InChIKey of 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is BVVDCARFZAQBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-9-5-15(25-10-3-2-4-20(8-10)17(23)24)11-7-14(21)12(16(18)22)6-13(11)19-9/h5-7,10,21H,2-4,8H2,1H3,(H2,18,22)(H,23,24).
What are the key properties of 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid?
3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-carbamoyl-6-hydroxy-2-methylquinolin-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 126573613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).