(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C22H15ClN2O2 — CID 139181842

IUPAC(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O2/c23-15-11-9-14(10-12-15)13-24-20-16-5-1-2-6-17(16)22(27)25(20)19-8-4-3-7-18(19)21(24)26/h1-12,20H,13H2/t20-/m1/s1
InChIKeyALBZSYITYFLZNE-HXUWFJFHSA-N
MW374.83 g/mol
LogP4.66
Rot. Bonds2

About (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 139181842) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID139181842
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O2/c23-15-11-9-14(10-12-15)13-24-20-16-5-1-2-6-17(16)22(27)25(20)19-8-4-3-7-18(19)21(24)26/h1-12,20H,13H2/t20-/m1/s1
InChIKeyALBZSYITYFLZNE-HXUWFJFHSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione with MolForge

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Related Compounds

2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175
3-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]propanoic acid
CID 42507417
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
5-[(4-fluorophenyl)methyl]-12-(4-methylphenyl)-4bH-isoquinolino[2,1-a]quinazolin-6-one
CID 54756715
N-(5-chloro-2-hydroxyphenyl)-6-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)hexanamide
CID 110207880
2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-propan-2-ylacetamide
CID 91638164
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
2-benzyl-3-(4-chlorophenyl)-4-hydroxy-3,4-dihydroisoquinolin-1-one
CID 134869149
2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid
CID 126348937
4-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-propan-2-ylbutanamide
CID 99987732
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 125429867
(3S)-2-[2-(4-chlorophenyl)ethyl]-3-methoxy-3H-isoindol-1-one
CID 41121391

Frequently Asked Questions

What is the IUPAC name of (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 139181842) is (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1Cc1ccc(Cl)cc1.
What is the InChIKey of (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is ALBZSYITYFLZNE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-15-11-9-14(10-12-15)13-24-20-16-5-1-2-6-17(16)22(27)25(20)19-8-4-3-7-18(19)21(24)26/h1-12,20H,13H2/t20-/m1/s1.
What are the key properties of (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 374.83 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 139181842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).