2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C24H26N6O2 — CID 135559168

IUPAC2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1Cn3c(c4ccccc4nc3=O)N1)CC2
InChIInChI=1S/C24H26N6O2/c31-22-24(30(16-25-22)18-6-2-1-3-7-18)10-12-28(13-11-24)14-17-15-29-21(26-17)19-8-4-5-9-20(19)27-23(29)32/h1-9,17,26H,10-16H2,(H,25,31)
InChIKeyNQTATNKRTDFROI-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.62
Rot. Bonds3

About 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135559168) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135559168
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1Cn3c(c4ccccc4nc3=O)N1)CC2
InChIInChI=1S/C24H26N6O2/c31-22-24(30(16-25-22)18-6-2-1-3-7-18)10-12-28(13-11-24)14-17-15-29-21(26-17)19-8-4-5-9-20(19)27-23(29)32/h1-9,17,26H,10-16H2,(H,25,31)
InChIKeyNQTATNKRTDFROI-UHFFFAOYSA-N
XLogP1.62
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one with MolForge

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
CID 4367545
8-Cyclohexyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 11781971
3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135860517
2-{[4-(4-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768856
8-Acetyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 44769627
2-{[4-(2-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768857
4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 85831308
N-cyclohexyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 145959645
N-(4-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 6623822
N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 23605636
N-cyclohexyl-4-oxo-3-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24717460

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135559168) is 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=C1NCN(c2ccccc2)C12CCN(CC1Cn3c(c4ccccc4nc3=O)N1)CC2.
What is the InChIKey of 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is NQTATNKRTDFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c31-22-24(30(16-25-22)18-6-2-1-3-7-18)10-12-28(13-11-24)14-17-15-29-21(26-17)19-8-4-5-9-20(19)27-23(29)32/h1-9,17,26H,10-16H2,(H,25,31).
What are the key properties of 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 430.51 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135559168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).