(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone

C23H21NO — CID 4273754

IUPAC(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
InChIKeyLJSBBBWQTLXQEN-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.74
Rot. Bonds4

About (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone

(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 4273754) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID4273754
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
InChIKeyLJSBBBWQTLXQEN-UHFFFAOYSA-N
XLogP5.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone (CID 4273754) is (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone is CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is LJSBBBWQTLXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3.
What are the key properties of (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone?
(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 327.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 4273754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).