N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C27H25N5O6 — CID 10311498

IUPACN-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
InChIInChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
InChIKeyVXTLHKJGOCNUSX-UHFFFAOYSA-N
MW515.53 g/mol
LogP1.44
Rot. Bonds5

About N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10311498) has the molecular formula C27H25N5O6 and a molecular weight of 515.53 g/mol. Its IUPAC name is N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10311498
Molecular FormulaC27H25N5O6
Molecular Weight515.53 g/mol
Exact Mass515.18
IUPAC NameN-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
InChIInChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
InChIKeyVXTLHKJGOCNUSX-UHFFFAOYSA-N
XLogP1.44
TPSA146.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 9868333
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CID 9936625
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CID 10143028
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CID 10252411
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CID 10276473
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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10311498) is N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O.
What is the InChIKey of N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is VXTLHKJGOCNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37).
What are the key properties of N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 515.53 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10311498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).