6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione

C22H17N3O2 — CID 57387965

IUPAC6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
SMILESCC12c3ccccc3C(=O)N1c1ccccc1C(=O)N2Nc1ccccc1
InChIInChI=1S/C22H17N3O2/c1-22-18-13-7-5-11-16(18)20(26)24(22)19-14-8-6-12-17(19)21(27)25(22)23-15-9-3-2-4-10-15/h2-14,23H,1H3
InChIKeyXKDPRQOQHFMUTA-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.00
Rot. Bonds2

About 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione

6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione (PubChem CID 57387965) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
PubChem CID57387965
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
SMILESCC12c3ccccc3C(=O)N1c1ccccc1C(=O)N2Nc1ccccc1
InChIInChI=1S/C22H17N3O2/c1-22-18-13-7-5-11-16(18)20(26)24(22)19-14-8-6-12-17(19)21(27)25(22)23-15-9-3-2-4-10-15/h2-14,23H,1H3
InChIKeyXKDPRQOQHFMUTA-UHFFFAOYSA-N
XLogP4.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-6-Phenyl-6,6a-dihydro-isoindolo[2,1-a]quinazoline-5,11-dione
CID 919001
Spiro[1,2,3-trihydroquinazoline-2,3'-indoline]-4,12-dione
CID 2922157
6,6a-Dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 3595287
N-(4'-oxo-1',4'-dihydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-3'-yl)benzamide
CID 1516805
1-[(2-Methylphenyl)methyl]-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 15989268
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N'-ethylbenzohydrazide
CID 168279437
4-o-Tolyl-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 649422
N-(2,2-dimethyl-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)benzamide
CID 5201771
3a-Methyl-4-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 2973158
6-Benzyl-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 3514191
6-o-Tolyl-6,6a-dihydro-isoindolo[2,1-a]quinazoline-5,11-dione
CID 3833010
6-Phenyl-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 3674352

Frequently Asked Questions

What is the IUPAC name of 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione?
The IUPAC name of 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione (CID 57387965) is 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione.
What is the SMILES notation for 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione?
The canonical SMILES for 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione is CC12c3ccccc3C(=O)N1c1ccccc1C(=O)N2Nc1ccccc1.
What is the InChIKey of 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione?
The InChIKey is XKDPRQOQHFMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-22-18-13-7-5-11-16(18)20(26)24(22)19-14-8-6-12-17(19)21(27)25(22)23-15-9-3-2-4-10-15/h2-14,23H,1H3.
What are the key properties of 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione?
6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione has a molecular weight of 355.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione is sourced from PubChem (CID 57387965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).