spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one

C21H20N2O — CID 818750

IUPACspiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one
SMILESO=c1c2ccccc2nc2n1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C21H20N2O/c24-20-17-10-4-5-11-18(17)22-19-16-9-3-2-8-15(16)14-21(23(19)20)12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2
InChIKeyQOMLWUGYYCHMTJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.28
Rot. Bonds

About spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one

spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one (PubChem CID 818750) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one.

Molecular Properties

Compound Namespiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one
PubChem CID818750
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Namespiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one
SMILESO=c1c2ccccc2nc2n1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C21H20N2O/c24-20-17-10-4-5-11-18(17)22-19-16-9-3-2-8-15(16)14-21(23(19)20)12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2
InChIKeyQOMLWUGYYCHMTJ-UHFFFAOYSA-N
XLogP4.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
14H-benz[4,5]isoquino[2,1-a]perimidin-14-one
CID 81271
2-(4-Tert-Butylphenyl)-1,4-Dihydroquinazolin-4-One
CID 135443955
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
2-[2-(1-naphthyl)vinyl]-4(3H)-quinazolinone
CID 135405777
2-((E)-2-o-Tolyl-vinyl)-3H-quinazolin-4-one
CID 135580294
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
CID 63118
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-ethyl-2-[2-(2-methylphenyl)vinyl]-4(3H)-quinazolinone
CID 6241452
3-Methyl-2-o-tolyl-3H-quinazolin-4-one
CID 263099

Frequently Asked Questions

What is the IUPAC name of spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one?
The IUPAC name of spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one (CID 818750) is spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one.
What is the SMILES notation for spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one?
The canonical SMILES for spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one is O=c1c2ccccc2nc2n1C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one?
The InChIKey is QOMLWUGYYCHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-20-17-10-4-5-11-18(17)22-19-16-9-3-2-8-15(16)14-21(23(19)20)12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2.
What are the key properties of spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one?
spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one has a molecular weight of 316.40 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-isoquinolino[1,2-b]quinazoline-6,1'-cyclohexane]-8-one is sourced from PubChem (CID 818750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).