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

C23H21NO2 — CID 10831231

IUPAC(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-14-24-15-20(17-9-6-7-11-21(17)24)23(25)19-12-13-22(26-2)18-10-5-4-8-16(18)19/h4-13,15H,3,14H2,1-2H3
InChIKeySKDUHKSZHNFWML-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.44
Rot. Bonds5

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

(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 10831231) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID10831231
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-14-24-15-20(17-9-6-7-11-21(17)24)23(25)19-12-13-22(26-2)18-10-5-4-8-16(18)19/h4-13,15H,3,14H2,1-2H3
InChIKeySKDUHKSZHNFWML-UHFFFAOYSA-N
XLogP5.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4302963
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CID 10547208
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CID 44397540
CID 44397540
CID 56463
CID 56463
CID 11493740
CID 11493740
CID 45272116
CID 45272116
CID 44397641
CID 44397641
CID 211017
CID 211017
CID 53394099
CID 53394099
CID 91864534
CID 91864534
CID 11268746
CID 11268746

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 10831231) is (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is SKDUHKSZHNFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-14-24-15-20(17-9-6-7-11-21(17)24)23(25)19-12-13-22(26-2)18-10-5-4-8-16(18)19/h4-13,15H,3,14H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 5.44, 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)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 10831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).