2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid

C20H26N4O4 — CID 67136137

IUPAC2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCNC(=O)CN(CCC1(O)CCN(c2ccc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C20H26N4O4/c1-21-18(25)14-24(19(26)27)13-10-20(28)8-11-23(12-9-20)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,28H,8-14H2,1H3,(H,21,25)(H,26,27)
InChIKeyFMIYRZMJSIECCK-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid

2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid (PubChem CID 67136137) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
PubChem CID67136137
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCNC(=O)CN(CCC1(O)CCN(c2ccc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C20H26N4O4/c1-21-18(25)14-24(19(26)27)13-10-20(28)8-11-23(12-9-20)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,28H,8-14H2,1H3,(H,21,25)(H,26,27)
InChIKeyFMIYRZMJSIECCK-UHFFFAOYSA-N
XLogP1.68
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The IUPAC name of 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid (CID 67136137) is 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The canonical SMILES for 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid is CNC(=O)CN(CCC1(O)CCN(c2ccc3ccccc3n2)CC1)C(=O)O.
What is the InChIKey of 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The InChIKey is FMIYRZMJSIECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-21-18(25)14-24(19(26)27)13-10-20(28)8-11-23(12-9-20)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,28H,8-14H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid has a molecular weight of 386.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 67136137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).