[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone

C22H24N2O2 — CID 134841475

IUPAC[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3cccc(N(C)C)c3c2N(C)C)cc1
InChIInChI=1S/C22H24N2O2/c1-23(2)19-8-6-7-15-11-14-18(21(20(15)19)24(3)4)22(25)16-9-12-17(26-5)13-10-16/h6-14H,1-5H3
InChIKeyGDQPYLKYEAWDRJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.21
Rot. Bonds5

About [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone

[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 134841475) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone
PubChem CID134841475
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3cccc(N(C)C)c3c2N(C)C)cc1
InChIInChI=1S/C22H24N2O2/c1-23(2)19-8-6-7-15-11-14-18(21(20(15)19)24(3)4)22(25)16-9-12-17(26-5)13-10-16/h6-14H,1-5H3
InChIKeyGDQPYLKYEAWDRJ-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone (CID 134841475) is [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3cccc(N(C)C)c3c2N(C)C)cc1.
What is the InChIKey of [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GDQPYLKYEAWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23(2)19-8-6-7-15-11-14-18(21(20(15)19)24(3)4)22(25)16-9-12-17(26-5)13-10-16/h6-14H,1-5H3.
What are the key properties of [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone?
[1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 348.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,8-bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134841475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).