[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone

C26H26N2O — CID 15015469

IUPAC[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CC1CCCN1C
InChIInChI=1S/C26H26N2O/c1-18-25(26(29)22-14-7-10-19-9-3-4-12-21(19)22)23-13-5-6-15-24(23)28(18)17-20-11-8-16-27(20)2/h3-7,9-10,12-15,20H,8,11,16-17H2,1-2H3
InChIKeyWQJDFALYGBYOOO-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.43
Rot. Bonds4

About [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone

[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 15015469) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID15015469
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CC1CCCN1C
InChIInChI=1S/C26H26N2O/c1-18-25(26(29)22-14-7-10-19-9-3-4-12-21(19)22)23-13-5-6-15-24(23)28(18)17-20-11-8-16-27(20)2/h3-7,9-10,12-15,20H,8,11,16-17H2,1-2H3
InChIKeyWQJDFALYGBYOOO-UHFFFAOYSA-N
XLogP5.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone (CID 15015469) is [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone is Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CC1CCCN1C.
What is the InChIKey of [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is WQJDFALYGBYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-25(26(29)22-14-7-10-19-9-3-4-12-21(19)22)23-13-5-6-15-24(23)28(18)17-20-11-8-16-27(20)2/h3-7,9-10,12-15,20H,8,11,16-17H2,1-2H3.
What are the key properties of [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 382.51 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 15015469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).