(4-phenylphenyl)methyl quinoline-2-carboxylate

C23H17NO2 — CID 4968223

IUPAC(4-phenylphenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(22-15-14-20-8-4-5-9-21(20)24-22)26-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-15H,16H2
InChIKeyYQOJBMUCCORPET-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.26
Rot. Bonds4

About (4-phenylphenyl)methyl quinoline-2-carboxylate

(4-phenylphenyl)methyl quinoline-2-carboxylate (PubChem CID 4968223) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4-phenylphenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl quinoline-2-carboxylate
PubChem CID4968223
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(4-phenylphenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(22-15-14-20-8-4-5-9-21(20)24-22)26-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-15H,16H2
InChIKeyYQOJBMUCCORPET-UHFFFAOYSA-N
XLogP5.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
(3-methylphenyl)methyl quinoline-2-carboxylate
CID 7813134
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
benzyl 3-phenylquinoxaline-2-carboxylate
CID 132508697
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
CID 7812565
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
(2-carbamoylphenyl) quinoline-2-carboxylate
CID 139568542
benzyl 6-butoxyquinoline-2-carboxylate
CID 90291187
(4-phenylphenyl)methyl carbamate
CID 123751479

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl quinoline-2-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl quinoline-2-carboxylate (CID 4968223) is (4-phenylphenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl quinoline-2-carboxylate is O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2n1.
What is the InChIKey of (4-phenylphenyl)methyl quinoline-2-carboxylate?
The InChIKey is YQOJBMUCCORPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23(22-15-14-20-8-4-5-9-21(20)24-22)26-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-15H,16H2.
What are the key properties of (4-phenylphenyl)methyl quinoline-2-carboxylate?
(4-phenylphenyl)methyl quinoline-2-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 4968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).