(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C21H19NO2 — CID 26910968

IUPAC(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H19NO2/c1-14-11-17-9-5-6-10-19(17)22(14)21(23)18-12-15-7-3-4-8-16(15)13-20(18)24-2/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1
InChIKeyPXLMFCRXOSITEF-AWEZNQCLSA-N
MW317.39 g/mol
LogP4.44
Rot. Bonds2

About (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 26910968) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID26910968
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H19NO2/c1-14-11-17-9-5-6-10-19(17)22(14)21(23)18-12-15-7-3-4-8-16(15)13-20(18)24-2/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1
InChIKeyPXLMFCRXOSITEF-AWEZNQCLSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524
[2-amino-4-(3-iodopropoxy)-5-methoxyphenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 134356839
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197671
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561

Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 26910968) is (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is COc1cc2ccccc2cc1C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is PXLMFCRXOSITEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-11-17-9-5-6-10-19(17)22(14)21(23)18-12-15-7-3-4-8-16(15)13-20(18)24-2/h3-10,12-14H,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 26910968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).