6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one

C23H18N2O — CID 4063388

IUPAC6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one
SMILESO=c1c2ccccc2nc2n1Cc1ccccc1C2Cc1ccccc1
InChIInChI=1S/C23H18N2O/c26-23-19-12-6-7-13-21(19)24-22-20(14-16-8-2-1-3-9-16)18-11-5-4-10-17(18)15-25(22)23/h1-13,20H,14-15H2
InChIKeyIQCWFCYVWHKJIM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.13
Rot. Bonds2

About 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one

6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one (PubChem CID 4063388) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one.

Molecular Properties

Compound Name6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one
PubChem CID4063388
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one
SMILESO=c1c2ccccc2nc2n1Cc1ccccc1C2Cc1ccccc1
InChIInChI=1S/C23H18N2O/c26-23-19-12-6-7-13-21(19)24-22-20(14-16-8-2-1-3-9-16)18-11-5-4-10-17(18)15-25(22)23/h1-13,20H,14-15H2
InChIKeyIQCWFCYVWHKJIM-UHFFFAOYSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 156641715
2-[2-[[(7R)-5-oxo-7,12-dihydroisoquinolino[2,3-a]quinazolin-7-yl]methyl]phenyl]acetonitrile
CID 1181725
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
CID 13171281
(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
CID 16681423
6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 22048047
(1S,4S)-1-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 170990373
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560606
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
2-(4-benzylpiperidin-1-yl)-2-methyl-1,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 172767850
1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one?
The IUPAC name of 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one (CID 4063388) is 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one.
What is the SMILES notation for 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one?
The canonical SMILES for 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one is O=c1c2ccccc2nc2n1Cc1ccccc1C2Cc1ccccc1.
What is the InChIKey of 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one?
The InChIKey is IQCWFCYVWHKJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23-19-12-6-7-13-21(19)24-22-20(14-16-8-2-1-3-9-16)18-11-5-4-10-17(18)15-25(22)23/h1-13,20H,14-15H2.
What are the key properties of 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one?
6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one has a molecular weight of 338.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one is sourced from PubChem (CID 4063388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).