2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide

C25H26N4O2 — CID 175643931

IUPAC2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)nc2ccccc12
InChIInChI=1S/C25H26N4O2/c26-23(30)20-16-22(27-21-9-5-4-8-19(20)21)29-15-12-25(17-29)11-14-28(24(25)31)13-10-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H2,26,30)
InChIKeyMCMFODDIIRXESW-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.01
Rot. Bonds5

About 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide

2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide (PubChem CID 175643931) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
PubChem CID175643931
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)nc2ccccc12
InChIInChI=1S/C25H26N4O2/c26-23(30)20-16-22(27-21-9-5-4-8-19(20)21)29-15-12-25(17-29)11-14-28(24(25)31)13-10-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H2,26,30)
InChIKeyMCMFODDIIRXESW-UHFFFAOYSA-N
XLogP3.01
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
CID 146041384
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175645650
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
CID 154888897
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide (CID 175643931) is 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide is NC(=O)c1cc(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)nc2ccccc12.
What is the InChIKey of 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide?
The InChIKey is MCMFODDIIRXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c26-23(30)20-16-22(27-21-9-5-4-8-19(20)21)29-15-12-25(17-29)11-14-28(24(25)31)13-10-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H2,26,30).
What are the key properties of 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide?
2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide is sourced from PubChem (CID 175643931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).