2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one

C25H24N2O2 — CID 154667398

IUPAC2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
SMILESC[C@@H]1CCN(C(=O)c2ccc3c(-c4ccc5c(c4)CN(C)C5=O)cccc3c2)C1
InChIInChI=1S/C25H24N2O2/c1-16-10-11-27(14-16)24(28)19-7-8-22-17(12-19)4-3-5-21(22)18-6-9-23-20(13-18)15-26(2)25(23)29/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyOCWNMFAMQIHJHA-MRXNPFEDSA-N
MW384.48 g/mol
LogP4.57
Rot. Bonds2

About 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one

2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one (PubChem CID 154667398) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
PubChem CID154667398
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
SMILESC[C@@H]1CCN(C(=O)c2ccc3c(-c4ccc5c(c4)CN(C)C5=O)cccc3c2)C1
InChIInChI=1S/C25H24N2O2/c1-16-10-11-27(14-16)24(28)19-7-8-22-17(12-19)4-3-5-21(22)18-6-9-23-20(13-18)15-26(2)25(23)29/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyOCWNMFAMQIHJHA-MRXNPFEDSA-N
XLogP4.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
5-[5-(3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one
CID 175643687
3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667241
CID 163676622
CID 163676622
N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
CID 172661171
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
CID 175645819
2-[(dimethylamino)methyl]-4-[6-(3-fluoropiperidine-1-carbonyl)naphthalen-1-yl]benzaldehyde
CID 155042075
N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 155505202
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
2-fluoro-3-[6-[3-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]naphthalen-1-yl]benzoic acid
CID 175643836

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one (CID 154667398) is 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one is C[C@@H]1CCN(C(=O)c2ccc3c(-c4ccc5c(c4)CN(C)C5=O)cccc3c2)C1.
What is the InChIKey of 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one?
The InChIKey is OCWNMFAMQIHJHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-16-10-11-27(14-16)24(28)19-7-8-22-17(12-19)4-3-5-21(22)18-6-9-23-20(13-18)15-26(2)25(23)29/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one?
2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one has a molecular weight of 384.48 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one is sourced from PubChem (CID 154667398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).