2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one

C26H28N4O4 — CID 177042510

IUPAC2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one
SMILESO=C1CCC2(CCN(C(=O)CCc3nc4c(OCc5ccccc5)cccc4c(=O)[nH]3)CC2)N1
InChIInChI=1S/C26H28N4O4/c31-22-11-12-26(29-22)13-15-30(16-14-26)23(32)10-9-21-27-24-19(25(33)28-21)7-4-8-20(24)34-17-18-5-2-1-3-6-18/h1-8H,9-17H2,(H,29,31)(H,27,28,33)
InChIKeyRGKMCEWUJPBQSK-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.71
Rot. Bonds6

About 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one

2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 177042510) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one
PubChem CID177042510
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one
SMILESO=C1CCC2(CCN(C(=O)CCc3nc4c(OCc5ccccc5)cccc4c(=O)[nH]3)CC2)N1
InChIInChI=1S/C26H28N4O4/c31-22-11-12-26(29-22)13-15-30(16-14-26)23(32)10-9-21-27-24-19(25(33)28-21)7-4-8-20(24)34-17-18-5-2-1-3-6-18/h1-8H,9-17H2,(H,29,31)(H,27,28,33)
InChIKeyRGKMCEWUJPBQSK-UHFFFAOYSA-N
XLogP2.71
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one
CID 177042622
3-(4-oxo-8-phenylmethoxy-3H-quinazolin-2-yl)propanoic acid
CID 177042268
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135554900
2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456015
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289756
2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 137309600
6-[4-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 137289706
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one (CID 177042510) is 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one is O=C1CCC2(CCN(C(=O)CCc3nc4c(OCc5ccccc5)cccc4c(=O)[nH]3)CC2)N1.
What is the InChIKey of 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is RGKMCEWUJPBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-22-11-12-26(29-22)13-15-30(16-14-26)23(32)10-9-21-27-24-19(25(33)28-21)7-4-8-20(24)34-17-18-5-2-1-3-6-18/h1-8H,9-17H2,(H,29,31)(H,27,28,33).
What are the key properties of 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one?
2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one has a molecular weight of 460.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-8-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 177042510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).