N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide

C25H24N4O4 — CID 10203887

IUPACN-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCc1cc(Cc2ccc(C(=O)NC3CCOCC34NC(=O)NC4=O)cc2)c2ccccc2n1
InChIInChI=1S/C25H24N4O4/c1-15-12-18(19-4-2-3-5-20(19)26-15)13-16-6-8-17(9-7-16)22(30)27-21-10-11-33-14-25(21)23(31)28-24(32)29-25/h2-9,12,21H,10-11,13-14H2,1H3,(H,27,30)(H2,28,29,31,32)
InChIKeyFMZWOUSXKIWFOE-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.23
Rot. Bonds4

About N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide

N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide (PubChem CID 10203887) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide
PubChem CID10203887
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCc1cc(Cc2ccc(C(=O)NC3CCOCC34NC(=O)NC4=O)cc2)c2ccccc2n1
InChIInChI=1S/C25H24N4O4/c1-15-12-18(19-4-2-3-5-20(19)26-15)13-16-6-8-17(9-7-16)22(30)27-21-10-11-33-14-25(21)23(31)28-24(32)29-25/h2-9,12,21H,10-11,13-14H2,1H3,(H,27,30)(H2,28,29,31,32)
InChIKeyFMZWOUSXKIWFOE-UHFFFAOYSA-N
XLogP2.23
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The IUPAC name of N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide (CID 10203887) is N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide is Cc1cc(Cc2ccc(C(=O)NC3CCOCC34NC(=O)NC4=O)cc2)c2ccccc2n1.
What is the InChIKey of N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The InChIKey is FMZWOUSXKIWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-15-12-18(19-4-2-3-5-20(19)26-15)13-16-6-8-17(9-7-16)22(30)27-21-10-11-33-14-25(21)23(31)28-24(32)29-25/h2-9,12,21H,10-11,13-14H2,1H3,(H,27,30)(H2,28,29,31,32).
What are the key properties of N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide?
N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 10203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).