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

C24H23NO2 — CID 45272115

IUPAC(4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-4-15-25-16(2)23(20-11-7-8-12-21(20)25)24(26)19-13-14-22(27-3)18-10-6-5-9-17(18)19/h5-14H,4,15H2,1-3H3
InChIKeyKQDSWZCINCRXPV-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.75
Rot. Bonds5

About (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 45272115) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID45272115
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-4-15-25-16(2)23(20-11-7-8-12-21(20)25)24(26)19-13-14-22(27-3)18-10-6-5-9-17(18)19/h5-14H,4,15H2,1-3H3
InChIKeyKQDSWZCINCRXPV-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 (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 45272115) is (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is KQDSWZCINCRXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-4-15-25-16(2)23(20-11-7-8-12-21(20)25)24(26)19-13-14-22(27-3)18-10-6-5-9-17(18)19/h5-14H,4,15H2,1-3H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(4-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 (4-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 45272115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).