2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid

C17H20ClN3O2 — CID 67137067

IUPAC2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-2-13-4-5-15(20-16(13)14)21-10-7-12(8-11-21)6-9-19-17(22)23/h1-5,12,19H,6-11H2,(H,22,23)
InChIKeyZJWYINFUCBUURG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.76
Rot. Bonds4

About 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67137067) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67137067
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-2-13-4-5-15(20-16(13)14)21-10-7-12(8-11-21)6-9-19-17(22)23/h1-5,12,19H,6-11H2,(H,22,23)
InChIKeyZJWYINFUCBUURG-UHFFFAOYSA-N
XLogP3.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid (CID 67137067) is 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid is O=C(O)NCCC1CCN(c2ccc3cccc(Cl)c3n2)CC1.
What is the InChIKey of 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is ZJWYINFUCBUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-3-1-2-13-4-5-15(20-16(13)14)21-10-7-12(8-11-21)6-9-19-17(22)23/h1-5,12,19H,6-11H2,(H,22,23).
What are the key properties of 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 333.82 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67137067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).