(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one

C26H24N2O — CID 41066022

IUPAC(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H24N2O/c1-3-17-28-25(19-13-7-8-14-20(19)26(28)29)23-21-15-9-10-16-22(21)27(2)24(23)18-11-5-4-6-12-18/h4-16,25H,3,17H2,1-2H3/t25-/m0/s1
InChIKeyIMPAQXNWBHPPAJ-VWLOTQADSA-N
MW380.49 g/mol
LogP5.80
Rot. Bonds4

About (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one

(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one (PubChem CID 41066022) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one
PubChem CID41066022
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H24N2O/c1-3-17-28-25(19-13-7-8-14-20(19)26(28)29)23-21-15-9-10-16-22(21)27(2)24(23)18-11-5-4-6-12-18/h4-16,25H,3,17H2,1-2H3/t25-/m0/s1
InChIKeyIMPAQXNWBHPPAJ-VWLOTQADSA-N
XLogP5.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide
CID 3331200
2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5196931
3-[2-(4-chlorophenyl)-1-methylindol-3-yl]-2-(2-hydroxyethyl)-3H-isoindol-1-one
CID 70680899
(3S)-2-butyl-3-[2-(3-methoxyphenyl)-1-methylindol-3-yl]-3H-isoindol-1-one
CID 41031824
(3R)-2-benzyl-3-[2-(4-fluorophenyl)-1-methylindol-3-yl]-3H-isoindol-1-one
CID 41031789
N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide
CID 3917586
3-(1-methyl-2-phenylindol-3-yl)-2-octan-2-yl-3H-isoindol-1-one
CID 3647284
(3R)-2-[2-(4-chlorophenyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 41168726
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031712
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031713
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide
CID 5025350
(3S)-2-butyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031698

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one?
The IUPAC name of (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one (CID 41066022) is (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one?
The canonical SMILES for (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one?
The InChIKey is IMPAQXNWBHPPAJ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24N2O/c1-3-17-28-25(19-13-7-8-14-20(19)26(28)29)23-21-15-9-10-16-22(21)27(2)24(23)18-11-5-4-6-12-18/h4-16,25H,3,17H2,1-2H3/t25-/m0/s1.
What are the key properties of (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one?
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one has a molecular weight of 380.49 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 41066022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).