1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid

C19H20N2O4 — CID 126838949

IUPAC1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C19H20N2O4/c22-17(21-9-3-8-19(25,11-21)18(23)24)14-10-16(12-6-7-12)20-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,25H,3,6-9,11H2,(H,23,24)
InChIKeyCEUYVYNHPRJSKA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid

1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 126838949) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
PubChem CID126838949
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C19H20N2O4/c22-17(21-9-3-8-19(25,11-21)18(23)24)14-10-16(12-6-7-12)20-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,25H,3,6-9,11H2,(H,23,24)
InChIKeyCEUYVYNHPRJSKA-UHFFFAOYSA-N
XLogP2.16
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 31368629
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016747
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534067

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid (CID 126838949) is 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid is O=C(c1cc(C2CC2)nc2ccccc12)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is CEUYVYNHPRJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(21-9-3-8-19(25,11-21)18(23)24)14-10-16(12-6-7-12)20-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,25H,3,6-9,11H2,(H,23,24).
What are the key properties of 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid?
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 126838949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).