phenyl 1,4-dihydroquinoline-3-carboxylate

C16H13NO2 — CID 154399679

IUPACphenyl 1,4-dihydroquinoline-3-carboxylate
SMILESO=C(Oc1ccccc1)C1=CNc2ccccc2C1
InChIInChI=1S/C16H13NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h1-9,11,17H,10H2
InChIKeyUCJMEFSNMIWMGJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.14
Rot. Bonds2

About phenyl 1,4-dihydroquinoline-3-carboxylate

phenyl 1,4-dihydroquinoline-3-carboxylate (PubChem CID 154399679) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is phenyl 1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namephenyl 1,4-dihydroquinoline-3-carboxylate
PubChem CID154399679
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namephenyl 1,4-dihydroquinoline-3-carboxylate
SMILESO=C(Oc1ccccc1)C1=CNc2ccccc2C1
InChIInChI=1S/C16H13NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h1-9,11,17H,10H2
InChIKeyUCJMEFSNMIWMGJ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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phenyl 6-hydroxynaphthalene-2-carboxylate
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[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
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diphenyl 5-aminobenzene-1,3-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of phenyl 1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of phenyl 1,4-dihydroquinoline-3-carboxylate (CID 154399679) is phenyl 1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for phenyl 1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for phenyl 1,4-dihydroquinoline-3-carboxylate is O=C(Oc1ccccc1)C1=CNc2ccccc2C1.
What is the InChIKey of phenyl 1,4-dihydroquinoline-3-carboxylate?
The InChIKey is UCJMEFSNMIWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h1-9,11,17H,10H2.
What are the key properties of phenyl 1,4-dihydroquinoline-3-carboxylate?
phenyl 1,4-dihydroquinoline-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 154399679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).