2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide

C25H25N5O4 — CID 10115425

IUPAC2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(COc2ccc(NC(=O)CC3CNCC34NC(=O)NC4=O)cc2)c2ccccc2n1
InChIInChI=1S/C25H25N5O4/c1-15-10-16(20-4-2-3-5-21(20)27-15)13-34-19-8-6-18(7-9-19)28-22(31)11-17-12-26-14-25(17)23(32)29-24(33)30-25/h2-10,17,26H,11-14H2,1H3,(H,28,31)(H2,29,30,32,33)
InChIKeyKFRFKLGBBKOPPX-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.25
Rot. Bonds6

About 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide

2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide (PubChem CID 10115425) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
PubChem CID10115425
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(COc2ccc(NC(=O)CC3CNCC34NC(=O)NC4=O)cc2)c2ccccc2n1
InChIInChI=1S/C25H25N5O4/c1-15-10-16(20-4-2-3-5-21(20)27-15)13-34-19-8-6-18(7-9-19)28-22(31)11-17-12-26-14-25(17)23(32)29-24(33)30-25/h2-10,17,26H,11-14H2,1H3,(H,28,31)(H2,29,30,32,33)
InChIKeyKFRFKLGBBKOPPX-UHFFFAOYSA-N
XLogP2.25
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2,4-dioxo-7-(piperidine-4-carbonyl)-1,3,7-triazaspiro[4.4]nonan-9-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10120258
tert-butyl 9-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CID 10119864
N-[(5S,9R)-2,4-dioxo-7-(pyridine-4-carbonyl)-1,3,7-triazaspiro[4.4]nonan-9-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 68893375
2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
CID 91936088
N-[(5S,9R)-2,4-dioxo-7-(pyridin-4-ylmethyl)-1,3,7-triazaspiro[4.4]nonan-9-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 68897152
(2S,3S,5R)-5-fluoro-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 68649543
9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid
CID 91102325
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 91218925
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 87976885
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide (CID 10115425) is 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide is Cc1cc(COc2ccc(NC(=O)CC3CNCC34NC(=O)NC4=O)cc2)c2ccccc2n1.
What is the InChIKey of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The InChIKey is KFRFKLGBBKOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-15-10-16(20-4-2-3-5-21(20)27-15)13-34-19-8-6-18(7-9-19)28-22(31)11-17-12-26-14-25(17)23(32)29-24(33)30-25/h2-10,17,26H,11-14H2,1H3,(H,28,31)(H2,29,30,32,33).
What are the key properties of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 10115425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).