(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione

C22H24N4O2 — CID 134974709

IUPAC(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
SMILESCCCN1C(=O)N(C)c2ccccc2[C@]12C1c3ccccc3CN1C(=O)N2C
InChIInChI=1S/C22H24N4O2/c1-4-13-26-20(27)23(2)18-12-8-7-11-17(18)22(26)19-16-10-6-5-9-15(16)14-25(19)21(28)24(22)3/h5-12,19H,4,13-14H2,1-3H3/t19?,22-/m1/s1
InChIKeyHMMSTZRKFZCGJR-AVKWCDSFSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds2

About (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione

(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione (PubChem CID 134974709) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione.

Molecular Properties

Compound Name(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
PubChem CID134974709
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione
SMILESCCCN1C(=O)N(C)c2ccccc2[C@]12C1c3ccccc3CN1C(=O)N2C
InChIInChI=1S/C22H24N4O2/c1-4-13-26-20(27)23(2)18-12-8-7-11-17(18)22(26)19-16-10-6-5-9-15(16)14-25(19)21(28)24(22)3/h5-12,19H,4,13-14H2,1-3H3/t19?,22-/m1/s1
InChIKeyHMMSTZRKFZCGJR-AVKWCDSFSA-N
XLogP3.74
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione with MolForge

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Related Compounds

(10aS)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7714690
US11685729, Example 18
CID 139331614
(10aS)-2-(2-methylphenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
CID 667195
1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10407144
1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 44297697
1-(4-Tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45268120
1-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
CID 45273334
3,3-dimethyl-N-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-yl)-2H-indole-1-carboxamide
CID 44315938
N-(3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl)-3,3-dimethyl-2H-indole-1-carboxamide
CID 44315951
US11685729, Example 14
CID 142623821
1-[3-(1,3-Dihydroisoindol-2-yl)propyl]-3-methylbenzimidazol-2-one
CID 118731583
1-[3-[(2S,7R)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-trien-4-yl]propyl]-3-(4-iodophenyl)urea
CID 44295145

Frequently Asked Questions

What is the IUPAC name of (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The IUPAC name of (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione (CID 134974709) is (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione.
What is the SMILES notation for (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The canonical SMILES for (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione is CCCN1C(=O)N(C)c2ccccc2[C@]12C1c3ccccc3CN1C(=O)N2C.
What is the InChIKey of (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
The InChIKey is HMMSTZRKFZCGJR-AVKWCDSFSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-13-26-20(27)23(2)18-12-8-7-11-17(18)22(26)19-16-10-6-5-9-15(16)14-25(19)21(28)24(22)3/h5-12,19H,4,13-14H2,1-3H3/t19?,22-/m1/s1.
What are the key properties of (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione?
(1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione has a molecular weight of 376.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1',2-dimethyl-3'-propylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione is sourced from PubChem (CID 134974709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).