(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

C24H23NO2 — CID 11233636

IUPAC(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3
InChIKeyPJQIBVPPWAUFQB-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.75
Rot. Bonds5

About (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 11233636) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID11233636
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3
InChIKeyPJQIBVPPWAUFQB-UHFFFAOYSA-N
XLogP5.75
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 11233636) is (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21.
What is the InChIKey of (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is PJQIBVPPWAUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3.
What are the key properties of (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 11233636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).