N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide

C25H27N5O2 — CID 44591889

IUPACN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32)
InChIKeyFPAYIMLIUXRMMC-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide (PubChem CID 44591889) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide
PubChem CID44591889
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32)
InChIKeyFPAYIMLIUXRMMC-UHFFFAOYSA-N
XLogP2.39
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide (CID 44591889) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is FPAYIMLIUXRMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32).
What are the key properties of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide?
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 44591889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).