tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate

C25H25NO3 — CID 11036500

IUPACtert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=Cc2c1cc(OCc1ccccc1)c1ccccc21
InChIInChI=1S/C25H25NO3/c1-25(2,3)29-24(27)26-15-9-14-20-19-12-7-8-13-21(19)23(16-22(20)26)28-17-18-10-5-4-6-11-18/h4-14,16H,15,17H2,1-3H3
InChIKeyQJQJQNZSJPIGQM-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.19
Rot. Bonds3

About tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate

tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate (PubChem CID 11036500) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate
PubChem CID11036500
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Nametert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=Cc2c1cc(OCc1ccccc1)c1ccccc21
InChIInChI=1S/C25H25NO3/c1-25(2,3)29-24(27)26-15-9-14-20-19-12-7-8-13-21(19)23(16-22(20)26)28-17-18-10-5-4-6-11-18/h4-14,16H,15,17H2,1-3H3
InChIKeyQJQJQNZSJPIGQM-UHFFFAOYSA-N
XLogP6.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate (CID 11036500) is tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate is CC(C)(C)OC(=O)N1CC=Cc2c1cc(OCc1ccccc1)c1ccccc21.
What is the InChIKey of tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate?
The InChIKey is QJQJQNZSJPIGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-25(2,3)29-24(27)26-15-9-14-20-19-12-7-8-13-21(19)23(16-22(20)26)28-17-18-10-5-4-6-11-18/h4-14,16H,15,17H2,1-3H3.
What are the key properties of tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate?
tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-phenylmethoxy-3H-benzo[f]quinoline-4-carboxylate is sourced from PubChem (CID 11036500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).