1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide

C26H26N4O4 — CID 142189229

IUPAC1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide
SMILESCc1cc(COc2ccc(N3C(=O)NC(=O)C34CCCCC4C(N)=O)cc2)c2ccccc2n1
InChIInChI=1S/C26H26N4O4/c1-16-14-17(20-6-2-3-8-22(20)28-16)15-34-19-11-9-18(10-12-19)30-25(33)29-24(32)26(30)13-5-4-7-21(26)23(27)31/h2-3,6,8-12,14,21H,4-5,7,13,15H2,1H3,(H2,27,31)(H,29,32,33)
InChIKeyUYGLLBLEBZLBTL-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide

1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide (PubChem CID 142189229) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide
PubChem CID142189229
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide
SMILESCc1cc(COc2ccc(N3C(=O)NC(=O)C34CCCCC4C(N)=O)cc2)c2ccccc2n1
InChIInChI=1S/C26H26N4O4/c1-16-14-17(20-6-2-3-8-22(20)28-16)15-34-19-11-9-18(10-12-19)30-25(33)29-24(32)26(30)13-5-4-7-21(26)23(27)31/h2-3,6,8-12,14,21H,4-5,7,13,15H2,1H3,(H2,27,31)(H,29,32,33)
InChIKeyUYGLLBLEBZLBTL-UHFFFAOYSA-N
XLogP3.59
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241
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
N-[[5-(1-methylpiperidin-4-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10218128
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
CID 101337934
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939
[(1S,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(pyrrolidine-1-carbonyl)cyclopropanecarbonyl]azanium
CID 142258946

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide?
The IUPAC name of 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide (CID 142189229) is 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide.
What is the SMILES notation for 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide?
The canonical SMILES for 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide is Cc1cc(COc2ccc(N3C(=O)NC(=O)C34CCCCC4C(N)=O)cc2)c2ccccc2n1.
What is the InChIKey of 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide?
The InChIKey is UYGLLBLEBZLBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16-14-17(20-6-2-3-8-22(20)28-16)15-34-19-11-9-18(10-12-19)30-25(33)29-24(32)26(30)13-5-4-7-21(26)23(27)31/h2-3,6,8-12,14,21H,4-5,7,13,15H2,1H3,(H2,27,31)(H,29,32,33).
What are the key properties of 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide?
1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide is sourced from PubChem (CID 142189229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).