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

C26H29N5O2 — CID 53470218

IUPACN-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide
SMILESO=C(NCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C26H29N5O2/c32-24(21-17-20-7-4-5-10-23(20)28-18-21)27-13-6-14-30-15-11-26(12-16-30)25(33)29-19-31(26)22-8-2-1-3-9-22/h1-5,7-10,17-18H,6,11-16,19H2,(H,27,32)(H,29,33)
InChIKeyIKPYQHGITSPBCP-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.78
Rot. Bonds6

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

N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide (PubChem CID 53470218) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide
PubChem CID53470218
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide
SMILESO=C(NCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C26H29N5O2/c32-24(21-17-20-7-4-5-10-23(20)28-18-21)27-13-6-14-30-15-11-26(12-16-30)25(33)29-19-31(26)22-8-2-1-3-9-22/h1-5,7-10,17-18H,6,11-16,19H2,(H,27,32)(H,29,33)
InChIKeyIKPYQHGITSPBCP-UHFFFAOYSA-N
XLogP2.78
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 46939229
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 46939323
N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46939675
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide
CID 44591933
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428990
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide
CID 21428867
N-[2-[1-(2-fluoro-4-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099340
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 46939578
N-[2-[1-(5-bromo-3-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099472
4-amino-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-3-(trifluoromethoxy)benzamide;2,2,2-trifluoroacetic acid
CID 53470030
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53470020

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide?
The IUPAC name of N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide (CID 53470218) is N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide is O=C(NCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide?
The InChIKey is IKPYQHGITSPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-24(21-17-20-7-4-5-10-23(20)28-18-21)27-13-6-14-30-15-11-26(12-16-30)25(33)29-19-31(26)22-8-2-1-3-9-22/h1-5,7-10,17-18H,6,11-16,19H2,(H,27,32)(H,29,33).
What are the key properties of N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide?
N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 53470218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).