quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate

C25H25FN4O2 — CID 67754639

IUPACquinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate
SMILESO=C(NCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)Oc1cnc2ccccc2c1
InChIInChI=1S/C25H25FN4O2/c26-19-5-6-21-22(16-29-24(21)14-19)17-7-10-30(11-8-17)12-9-27-25(31)32-20-13-18-3-1-2-4-23(18)28-15-20/h1-6,13-17,29H,7-12H2,(H,27,31)
InChIKeyFMSFMYBRWZHBIR-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.82
Rot. Bonds5

About quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate

quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate (PubChem CID 67754639) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namequinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate
PubChem CID67754639
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Namequinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate
SMILESO=C(NCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)Oc1cnc2ccccc2c1
InChIInChI=1S/C25H25FN4O2/c26-19-5-6-21-22(16-29-24(21)14-19)17-7-10-30(11-8-17)12-9-27-25(31)32-20-13-18-3-1-2-4-23(18)28-15-20/h1-6,13-17,29H,7-12H2,(H,27,31)
InChIKeyFMSFMYBRWZHBIR-UHFFFAOYSA-N
XLogP4.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate (CID 67754639) is quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate is O=C(NCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)Oc1cnc2ccccc2c1.
What is the InChIKey of quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is FMSFMYBRWZHBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-19-5-6-21-22(16-29-24(21)14-19)17-7-10-30(11-8-17)12-9-27-25(31)32-20-13-18-3-1-2-4-23(18)28-15-20/h1-6,13-17,29H,7-12H2,(H,27,31).
What are the key properties of quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate?
quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 432.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-yl N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 67754639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).