(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one

C26H24N2O — CID 41066019

IUPAC(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O/c1-3-16-28-25(19-8-4-5-9-20(19)26(28)29)23-21-10-6-7-11-22(21)27-24(23)18-14-12-17(2)13-15-18/h4-15,25,27H,3,16H2,1-2H3/t25-/m1/s1
InChIKeyJSBFNQBVSGUBNS-RUZDIDTESA-N
MW380.49 g/mol
LogP6.10
Rot. Bonds4

About (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one

(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one (PubChem CID 41066019) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
PubChem CID41066019
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O/c1-3-16-28-25(19-8-4-5-9-20(19)26(28)29)23-21-10-6-7-11-22(21)27-24(23)18-14-12-17(2)13-15-18/h4-15,25,27H,3,16H2,1-2H3/t25-/m1/s1
InChIKeyJSBFNQBVSGUBNS-RUZDIDTESA-N
XLogP6.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-2-butyl-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 41031659
(3R)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066037
(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066027
(3R)-2-(2-hydroxyethyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 97038382
3-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 40932220
2-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetate
CID 7357803
(3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066044
(3S)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
CID 28523344
(3S)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-(3-morpholin-4-yl-3-oxopropyl)-3H-isoindol-1-one
CID 40975970
N-(4-methylphenyl)-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide
CID 45133696
2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide
CID 3975387
2-[[2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 40975955

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one (CID 41066019) is (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12.
What is the InChIKey of (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The InChIKey is JSBFNQBVSGUBNS-RUZDIDTESA-N. The full InChI is InChI=1S/C26H24N2O/c1-3-16-28-25(19-8-4-5-9-20(19)26(28)29)23-21-10-6-7-11-22(21)27-24(23)18-14-12-17(2)13-15-18/h4-15,25,27H,3,16H2,1-2H3/t25-/m1/s1.
What are the key properties of (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one has a molecular weight of 380.49 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 41066019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).