2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone

C31H31NO2 — CID 3826660

IUPAC2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone
SMILESCc1ccc(C2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1
InChIInChI=1S/C31H31NO2/c1-22-13-16-25(17-14-22)31(4)21-30(2,3)32(28-12-8-7-11-27(28)31)29(33)20-34-26-18-15-23-9-5-6-10-24(23)19-26/h5-19H,20-21H2,1-4H3
InChIKeyUYACQEFFFUNEQS-UHFFFAOYSA-N
MW449.59 g/mol
LogP7.05
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone (PubChem CID 3826660) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone
PubChem CID3826660
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone
SMILESCc1ccc(C2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1
InChIInChI=1S/C31H31NO2/c1-22-13-16-25(17-14-22)31(4)21-30(2,3)32(28-12-8-7-11-27(28)31)29(33)20-34-26-18-15-23-9-5-6-10-24(23)19-26/h5-19H,20-21H2,1-4H3
InChIKeyUYACQEFFFUNEQS-UHFFFAOYSA-N
XLogP7.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

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CID 40413
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2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
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CID 10838063
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone
CID 1112978
1-[4-[(2-Methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 71461632
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2-Naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
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CID 875122

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone (CID 3826660) is 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone is Cc1ccc(C2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone?
The InChIKey is UYACQEFFFUNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2/c1-22-13-16-25(17-14-22)31(4)21-30(2,3)32(28-12-8-7-11-27(28)31)29(33)20-34-26-18-15-23-9-5-6-10-24(23)19-26/h5-19H,20-21H2,1-4H3.
What are the key properties of 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone has a molecular weight of 449.59 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone is sourced from PubChem (CID 3826660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).